N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H19N3O3 — CID 60516002

IUPACN-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-2-4-15(21)20-13-8-6-12(7-9-13)11-19-17(23)14-5-3-10-18-16(14)22/h3,5-10H,2,4,11H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyXNLKSEHGAPKADO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds6

About N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 60516002) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID60516002
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-2-4-15(21)20-13-8-6-12(7-9-13)11-19-17(23)14-5-3-10-18-16(14)22/h3,5-10H,2,4,11H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyXNLKSEHGAPKADO-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-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
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
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[4-[[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]methyl]phenyl]butanamide
CID 60515860
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56798194
4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide
CID 55849221
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
N-[4-(2-amino-2-oxoethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 75414588
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 60516002) is N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CCCC(=O)Nc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XNLKSEHGAPKADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-4-15(21)20-13-8-6-12(7-9-13)11-19-17(23)14-5-3-10-18-16(14)22/h3,5-10H,2,4,11H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[4-(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-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60516002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).