N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide

C12H15N3O2 — CID 18648131

IUPACN-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
SMILESO=C1C[C@@H](NC(=O)c2cccnc2)CCCN1
InChIInChI=1S/C12H15N3O2/c16-11-7-10(4-2-6-14-11)15-12(17)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyGAPVQDIWTUPZIX-JTQLQIEISA-N
MW233.27 g/mol
LogP0.48
Rot. Bonds2

About N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide

N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide (PubChem CID 18648131) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
PubChem CID18648131
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
SMILESO=C1C[C@@H](NC(=O)c2cccnc2)CCCN1
InChIInChI=1S/C12H15N3O2/c16-11-7-10(4-2-6-14-11)15-12(17)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyGAPVQDIWTUPZIX-JTQLQIEISA-N
XLogP0.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentylpyridine-3-carboxamide
CID 805532
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
N-[2-(cyclohexylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922643
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide (CID 18648131) is N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide is O=C1C[C@@H](NC(=O)c2cccnc2)CCCN1.
What is the InChIKey of N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide?
The InChIKey is GAPVQDIWTUPZIX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11-7-10(4-2-6-14-11)15-12(17)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide?
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 18648131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).