N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide

C21H25N3O3 — CID 87050503

IUPACN-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCCCCC1
InChIInChI=1S/C21H25N3O3/c1-16-11-12-18(22-20(26)17-9-5-4-6-10-17)21(27)24(16)15-19(25)23-13-7-2-3-8-14-23/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,22,26)
InChIKeyKSNWMGDOYWTHTJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.81
Rot. Bonds4

About N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide

N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide (PubChem CID 87050503) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide
PubChem CID87050503
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCCCCC1
InChIInChI=1S/C21H25N3O3/c1-16-11-12-18(22-20(26)17-9-5-4-6-10-17)21(27)24(16)15-19(25)23-13-7-2-3-8-14-23/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,22,26)
InChIKeyKSNWMGDOYWTHTJ-UHFFFAOYSA-N
XLogP2.81
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide
CID 87050516
3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 97181448
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
CID 87050342
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-[(4-methylbenzoyl)amino]benzoic acid
CID 50781901
N-(5-oxo-2,3-dihydro-1H-indolizin-6-yl)benzamide
CID 34179124
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
2-methylsulfanyl-1-phenylethanone;2-methylsulfanyl-1-piperidin-1-ylethanone
CID 162075067
4-methyl-N-[6-methyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
CID 95100121

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide?
The IUPAC name of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide (CID 87050503) is N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide?
The canonical SMILES for N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)N1CCCCCC1.
What is the InChIKey of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide?
The InChIKey is KSNWMGDOYWTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-11-12-18(22-20(26)17-9-5-4-6-10-17)21(27)24(16)15-19(25)23-13-7-2-3-8-14-23/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,22,26).
What are the key properties of N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide?
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 87050503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).