4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide

C13H10N4O — CID 156843133

IUPAC4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide
SMILESCc1cnc(C(N)=O)nc1-c1ccc(C#N)cc1
InChIInChI=1S/C13H10N4O/c1-8-7-16-13(12(15)18)17-11(8)10-4-2-9(6-14)3-5-10/h2-5,7H,1H3,(H2,15,18)
InChIKeyPUZPWOSPMOYXJW-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.42
Rot. Bonds2

About 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide

4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide (PubChem CID 156843133) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide
PubChem CID156843133
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide
SMILESCc1cnc(C(N)=O)nc1-c1ccc(C#N)cc1
InChIInChI=1S/C13H10N4O/c1-8-7-16-13(12(15)18)17-11(8)10-4-2-9(6-14)3-5-10/h2-5,7H,1H3,(H2,15,18)
InChIKeyPUZPWOSPMOYXJW-UHFFFAOYSA-N
XLogP1.42
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-cyanophenyl)-5-methylpyrimidine-2-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

4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate
CID 175005672
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
3-(4-cyanophenyl)-4-methylbenzamide
CID 154460991
3-(4-cyanophenyl)quinoxaline-5-carboxamide
CID 25218518
4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile
CID 144996685
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
2-amino-5-(4-cyanophenyl)pyridine-4-carboxylic acid
CID 53222623
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate
CID 172649602
4-(4-methoxy-3,5-dimethylphenyl)pyrimidine-2-carboxamide
CID 116904079
4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
CID 90440272

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide (CID 156843133) is 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide is Cc1cnc(C(N)=O)nc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide?
The InChIKey is PUZPWOSPMOYXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-8-7-16-13(12(15)18)17-11(8)10-4-2-9(6-14)3-5-10/h2-5,7H,1H3,(H2,15,18).
What are the key properties of 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide?
4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 156843133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).