N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

C19H16FN3O3 — CID 135446350

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16FN3O3/c1-11-2-6-13(7-3-11)17-22-15(16(24)19(26)23-17)18(25)21-10-12-4-8-14(20)9-5-12/h2-9,24H,10H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyPGTPBAPIQIWPAR-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.52
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135446350) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135446350
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16FN3O3/c1-11-2-6-13(7-3-11)17-22-15(16(24)19(26)23-17)18(25)21-10-12-4-8-14(20)9-5-12/h2-9,24H,10H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyPGTPBAPIQIWPAR-UHFFFAOYSA-N
XLogP2.52
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 135446350) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is PGTPBAPIQIWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11-2-6-13(7-3-11)17-22-15(16(24)19(26)23-17)18(25)21-10-12-4-8-14(20)9-5-12/h2-9,24H,10H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).