N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C13H11FN2O2 — CID 74539909

IUPACN-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H11FN2O2/c14-10-6-4-9(5-7-10)8-15-13(18)11-2-1-3-12(17)16-11/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyTTYQDJBCFVYYKQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.44
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 74539909) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID74539909
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H11FN2O2/c14-10-6-4-9(5-7-10)8-15-13(18)11-2-1-3-12(17)16-11/h1-7H,8H2,(H,15,18)(H,16,17)
InChIKeyTTYQDJBCFVYYKQ-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 74539909) is N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is TTYQDJBCFVYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-6-4-9(5-7-10)8-15-13(18)11-2-1-3-12(17)16-11/h1-7H,8H2,(H,15,18)(H,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-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-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 74539909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).