N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide

C14H13FN2O3 — CID 141159987

IUPACN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c[nH]c(CO)cc1=O
InChIInChI=1S/C14H13FN2O3/c15-10-3-1-9(2-4-10)6-17-14(20)12-7-16-11(8-18)5-13(12)19/h1-5,7,18H,6,8H2,(H,16,19)(H,17,20)
InChIKeyNFHZIXYTGBASMJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.94
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 141159987) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID141159987
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c[nH]c(CO)cc1=O
InChIInChI=1S/C14H13FN2O3/c15-10-3-1-9(2-4-10)6-17-14(20)12-7-16-11(8-18)5-13(12)19/h1-5,7,18H,6,8H2,(H,16,19)(H,17,20)
InChIKeyNFHZIXYTGBASMJ-UHFFFAOYSA-N
XLogP0.94
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 57722489
N5-[(4-fluorophenyl)methyl]-3-hydroxy-N2-(2-hydroxyethyl)-4-oxo-1H-pyridine-2,5-dicarboxamide
CID 71458911
Pestalamide C
CID 25158706
1-(2-Hydroxyethyl)-4-oxo-6-phenylpyridine-3-carboxamide
CID 164624090
N-(4-fluorobenzyl)-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 16853186
N-(2-fluorobenzyl)-2-hydroxy-N-(2-hydroxyethyl)-4,6-dimethylnicotinamide
CID 70732949
N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 86779355
N-[(4-fluorophenyl)methyl]-4-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 9861637
N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 18427617
5-Bromo-N-(4-fluorobenzyl)-4-hydroxy-6-methylnicotinamide
CID 57722485
1-[(3,4-difluorophenyl)methyl]-N-(2-hydroxyethyl)-2-oxopyridine-3-carboxamide
CID 59362618
N-(2-hydroxyethyl)-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362644

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide (CID 141159987) is N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c[nH]c(CO)cc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NFHZIXYTGBASMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-3-1-9(2-4-10)6-17-14(20)12-7-16-11(8-18)5-13(12)19/h1-5,7,18H,6,8H2,(H,16,19)(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 141159987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).