N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide

C20H17N5O — CID 109314747

IUPACN-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3cccc(C#N)c3)n2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-6-7-17(14(2)10-13)24-20-22-9-8-18(25-20)19(26)23-16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGSHZKXPQYWZLKW-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109314747) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109314747
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3cccc(C#N)c3)n2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-6-7-17(14(2)10-13)24-20-22-9-8-18(25-20)19(26)23-16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGSHZKXPQYWZLKW-UHFFFAOYSA-N
XLogP3.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanophenyl)-2-(2,4-dimethylanilino)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

Related Compounds

2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
2-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317385
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109318587
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730
2-(3-cyanoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317597
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide (CID 109314747) is N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3cccc(C#N)c3)n2)c(C)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is GSHZKXPQYWZLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-6-7-17(14(2)10-13)24-20-22-9-8-18(25-20)19(26)23-16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).