N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide

C19H15N3O2 — CID 110861087

IUPACN-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncnc2-c2ccccc2)c1
InChIInChI=1S/C19H15N3O2/c1-13(23)15-8-5-9-16(10-15)22-19(24)17-11-20-12-21-18(17)14-6-3-2-4-7-14/h2-12H,1H3,(H,22,24)
InChIKeyUFRKCGHNVMHCQB-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds4

About N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide

N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide (PubChem CID 110861087) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide
PubChem CID110861087
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncnc2-c2ccccc2)c1
InChIInChI=1S/C19H15N3O2/c1-13(23)15-8-5-9-16(10-15)22-19(24)17-11-20-12-21-18(17)14-6-3-2-4-7-14/h2-12H,1H3,(H,22,24)
InChIKeyUFRKCGHNVMHCQB-UHFFFAOYSA-N
XLogP3.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
7-[(4-phenylpyrimidine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154861668
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
4-phenylpyrimidine-5-carboxamide
CID 160993699
N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
CID 100753620
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide (CID 110861087) is N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide is CC(=O)c1cccc(NC(=O)c2cncnc2-c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide?
The InChIKey is UFRKCGHNVMHCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13(23)15-8-5-9-16(10-15)22-19(24)17-11-20-12-21-18(17)14-6-3-2-4-7-14/h2-12H,1H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide?
N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 110861087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).