N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H12N4O2 — CID 136669999

IUPACN-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(C#N)c2)c(=O)[nH]1
InChIInChI=1S/C14H12N4O2/c1-8-12(13(19)17-9(2)16-8)14(20)18-11-5-3-4-10(6-11)7-15/h3-6H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeySIMQXESYSHRLNU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.51
Rot. Bonds2

About N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136669999) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136669999
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(C#N)c2)c(=O)[nH]1
InChIInChI=1S/C14H12N4O2/c1-8-12(13(19)17-9(2)16-8)14(20)18-11-5-3-4-10(6-11)7-15/h3-6H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeySIMQXESYSHRLNU-UHFFFAOYSA-N
XLogP1.51
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-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-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110864766
N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332204
N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110684044
N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
CID 110695121
N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110864775
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26245567
N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864862
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136669999) is N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(C#N)c2)c(=O)[nH]1.
What is the InChIKey of N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SIMQXESYSHRLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-12(13(19)17-9(2)16-8)14(20)18-11-5-3-4-10(6-11)7-15/h3-6H,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136669999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).