N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide

C19H14N4O2 — CID 110332204

IUPACN-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)[nH]c(=O)n2)cc1
InChIInChI=1S/C19H14N4O2/c1-12-5-7-14(8-6-12)16-10-17(23-19(25)22-16)18(24)21-15-4-2-3-13(9-15)11-20/h2-10H,1H3,(H,21,24)(H,22,23,25)
InChIKeyNDQWAGGVGTWOIJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.87
Rot. Bonds3

About N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide

N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 110332204) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID110332204
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)[nH]c(=O)n2)cc1
InChIInChI=1S/C19H14N4O2/c1-12-5-7-14(8-6-12)16-10-17(23-19(25)22-16)18(24)21-15-4-2-3-13(9-15)11-20/h2-10H,1H3,(H,21,24)(H,22,23,25)
InChIKeyNDQWAGGVGTWOIJ-UHFFFAOYSA-N
XLogP2.87
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
CID 110864739
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121265
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide (CID 110332204) is N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)[nH]c(=O)n2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NDQWAGGVGTWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-12-5-7-14(8-6-12)16-10-17(23-19(25)22-16)18(24)21-15-4-2-3-13(9-15)11-20/h2-10H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide?
N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110332204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).