N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H19N3O3 — CID 60515059

IUPACN-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C17H19N3O3/c1-2-5-15(21)20-13-7-3-6-12(10-13)11-19-17(23)14-8-4-9-18-16(14)22/h3-4,6-10H,2,5,11H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyCANQRKLGAMZYSK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds6

About N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 60515059) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID60515059
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C17H19N3O3/c1-2-5-15(21)20-13-7-3-6-12(10-13)11-19-17(23)14-8-4-9-18-16(14)22/h3-4,6-10H,2,5,11H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyCANQRKLGAMZYSK-UHFFFAOYSA-N
XLogP2.04
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60516002
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
CID 60515223
N-[[3-(butanoylamino)phenyl]methyl]-2-methylsulfonylbenzamide
CID 87001535
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 37391009
N-[[3-(butanoylamino)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60515084
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]butanamide;hydroiodide
CID 110915904
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 31610697
N-[(4-ethoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46858927
2-oxo-N-(3-propoxyphenyl)-1H-pyridine-3-carboxamide
CID 38824053

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 60515059) is N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CCCC(=O)Nc1cccc(CNC(=O)c2ccc[nH]c2=O)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CANQRKLGAMZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-5-15(21)20-13-7-3-6-12(10-13)11-19-17(23)14-8-4-9-18-16(14)22/h3-4,6-10H,2,5,11H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60515059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).