N-[4-(1-Cyanocyclopentyl)phenyl]-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide hydrogen chloride (1:1)
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CAS Number 1218779-89-5
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Catalog Number io-406985
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Molecular Weight 433.9000
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SMILES
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| 1 | N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride |
| 2 | N-[4-(1-Cyanocyclopentyl)phenyl]-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide hydrogen chloride (1:1) |
| 3 | N-(4-(1-Cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide hydrochloride |
| 4 | 11,14-Dioxa-2,9-diazaheptadec-16-enoic acid, 4,4,6,16(or 4,6,6,16)-tetramethyl-10,15-dioxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester |
| 5 | orb1738276 |
| Molecular Formula | C24H24ClN5O |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 433.9000 |
| InChIKey | YJFMYZMORFXPKW-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H23N5O.ClH/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H |
| XLogP | 0.0000 |
| ExactMass | 433.1669 |
| MonoisotopicMass | 433.1669 |
| TPSA | 90.7000 |
| Complexity | 608.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 31 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |
