N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide

C17H13FN4O3 — CID 54706729

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2cncnc2)[nH]c(=O)c1O
InChIInChI=1S/C17H13FN4O3/c18-12-3-1-10(2-4-12)6-21-16(24)13-5-14(22-17(25)15(13)23)11-7-19-9-20-8-11/h1-5,7-9,23H,6H2,(H,21,24)(H,22,25)
InChIKeyDIONQIWUWUGGFH-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.61
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide (PubChem CID 54706729) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide
PubChem CID54706729
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2cncnc2)[nH]c(=O)c1O
InChIInChI=1S/C17H13FN4O3/c18-12-3-1-10(2-4-12)6-21-16(24)13-5-14(22-17(25)15(13)23)11-7-19-9-20-8-11/h1-5,7-9,23H,6H2,(H,21,24)(H,22,25)
InChIKeyDIONQIWUWUGGFH-UHFFFAOYSA-N
XLogP1.61
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074210
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide
CID 54716688
N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 22518262
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497668
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
N-[(4-fluorophenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 27256756
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide
CID 54720505
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
5-(1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 46154523
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide (CID 54706729) is N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(-c2cncnc2)[nH]c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide?
The InChIKey is DIONQIWUWUGGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-12-3-1-10(2-4-12)6-21-16(24)13-5-14(22-17(25)15(13)23)11-7-19-9-20-8-11/h1-5,7-9,23H,6H2,(H,21,24)(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 54706729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).