N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide

C20H25N3O2 — CID 95718959

IUPACN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)NC[C@]1(O)CCCNCC1
InChIInChI=1S/C20H25N3O2/c1-15-18(17(8-12-22-15)16-6-3-2-4-7-16)19(24)23-14-20(25)9-5-11-21-13-10-20/h2-4,6-8,12,21,25H,5,9-11,13-14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyNSULKJAXGQNRJW-FQEVSTJZSA-N
MW339.44 g/mol
LogP2.29
Rot. Bonds4

About N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide

N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide (PubChem CID 95718959) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
PubChem CID95718959
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)NC[C@]1(O)CCCNCC1
InChIInChI=1S/C20H25N3O2/c1-15-18(17(8-12-22-15)16-6-3-2-4-7-16)19(24)23-14-20(25)9-5-11-21-13-10-20/h2-4,6-8,12,21,25H,5,9-11,13-14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyNSULKJAXGQNRJW-FQEVSTJZSA-N
XLogP2.29
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
2-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-4-phenylpyridine-3-carboxamide
CID 77091302
N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
CID 95722997
N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide
CID 56894854
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 163305949
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide
CID 111445443
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 95708416
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95719731
N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56885073
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide (CID 95718959) is N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide is Cc1nccc(-c2ccccc2)c1C(=O)NC[C@]1(O)CCCNCC1.
What is the InChIKey of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The InChIKey is NSULKJAXGQNRJW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-18(17(8-12-22-15)16-6-3-2-4-7-16)19(24)23-14-20(25)9-5-11-21-13-10-20/h2-4,6-8,12,21,25H,5,9-11,13-14H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 95718959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).