N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C13H10F2N2O2 — CID 37391009

IUPACN-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C13H10F2N2O2/c14-9-4-8(5-10(15)6-9)7-17-13(19)11-2-1-3-16-12(11)18/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyYYUKTLLGVUHGPZ-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.58
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 37391009) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID37391009
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C13H10F2N2O2/c14-9-4-8(5-10(15)6-9)7-17-13(19)11-2-1-3-16-12(11)18/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyYYUKTLLGVUHGPZ-UHFFFAOYSA-N
XLogP1.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90548030
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126810317
N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60516002
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56798194
2-oxo-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 56815944
N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114383719
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 37391009) is N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YYUKTLLGVUHGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-4-8(5-10(15)6-9)7-17-13(19)11-2-1-3-16-12(11)18/h1-6H,7H2,(H,16,18)(H,17,19).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 264.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 37391009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).