4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride

C21H26ClN3O2 — CID 172910810

IUPAC4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-14-9-12-24(16-7-10-22-11-8-16)21(26)19(14)20(25)23-18-13-17(18)15-5-3-2-4-6-15;/h2-6,9,12,16-18,22H,7-8,10-11,13H2,1H3,(H,23,25);1H/t17-,18+;/m0./s1
InChIKeyOZIYBZRQQHCSSO-CJRXIRLBSA-N
MW387.91 g/mol
LogP2.79
Rot. Bonds4

About 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride

4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (PubChem CID 172910810) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
PubChem CID172910810
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-14-9-12-24(16-7-10-22-11-8-16)21(26)19(14)20(25)23-18-13-17(18)15-5-3-2-4-6-15;/h2-6,9,12,16-18,22H,7-8,10-11,13H2,1H3,(H,23,25);1H/t17-,18+;/m0./s1
InChIKeyOZIYBZRQQHCSSO-CJRXIRLBSA-N
XLogP2.79
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
CID 172909927
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 172672451
N-[3-(dimethylamino)phenyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172912666
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172910405
4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172911814
N-(2-acetamido-5-methylphenyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664109
N-(1-ethylbenzimidazol-2-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 175643277
3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide
CID 90355740
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910815
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172674256
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172669654
4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (CID 172910810) is 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1.Cl.
What is the InChIKey of 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The InChIKey is OZIYBZRQQHCSSO-CJRXIRLBSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-14-9-12-24(16-7-10-22-11-8-16)21(26)19(14)20(25)23-18-13-17(18)15-5-3-2-4-6-15;/h2-6,9,12,16-18,22H,7-8,10-11,13H2,1H3,(H,23,25);1H/t17-,18+;/m0./s1.
What are the key properties of 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172910810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).