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

C13H11FN2O2 — CID 103336844

IUPACN-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1c[nH]ccc1=O
InChIInChI=1S/C13H11FN2O2/c14-11-4-2-1-3-9(11)7-16-13(18)10-8-15-6-5-12(10)17/h1-6,8H,7H2,(H,15,17)(H,16,18)
InChIKeyVUBLVCBIVXSAKV-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.44
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103336844) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103336844
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1c[nH]ccc1=O
InChIInChI=1S/C13H11FN2O2/c14-11-4-2-1-3-9(11)7-16-13(18)10-8-15-6-5-12(10)17/h1-6,8H,7H2,(H,15,17)(H,16,18)
InChIKeyVUBLVCBIVXSAKV-UHFFFAOYSA-N
XLogP1.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103336844) is N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccccc1F)c1c[nH]ccc1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VUBLVCBIVXSAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-4-2-1-3-9(11)7-16-13(18)10-8-15-6-5-12(10)17/h1-6,8H,7H2,(H,15,17)(H,16,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103336844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).