2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

C23H19N5O3S — CID 134542552

IUPAC2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O3S/c1-32(30,31)18-9-7-17(8-10-18)26-23-25-14-12-20(28-23)22(29)27-21-15-24-13-11-19(21)16-5-3-2-4-6-16/h2-15H,1H3,(H,27,29)(H,25,26,28)
InChIKeyNYNFHQSIJDCJQN-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 134542552) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID134542552
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O3S/c1-32(30,31)18-9-7-17(8-10-18)26-23-25-14-12-20(28-23)22(29)27-21-15-24-13-11-19(21)16-5-3-2-4-6-16/h2-15H,1H3,(H,27,29)(H,25,26,28)
InChIKeyNYNFHQSIJDCJQN-UHFFFAOYSA-N
XLogP3.94
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)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

CCR6 inhibitor 1
CID 134817249
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-(2-aminophenyl)-4-((4-(6-(methylthio)pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570808
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-(methylsulfonyl)phenyl)pyrimidine-4-carboxamide
CID 46880925
2-amino-8-methylsulfonyl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122445001
4,4-Dimethyl-6-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]-2,3-dihydroisoquinolin-1-one
CID 169081031
2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide
CID 134542788
6-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415225
6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415401
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylquinoline-4-carboxamide
CID 1212428
2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide perchlorate
CID 10532224

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 134542552) is 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is CS(=O)(=O)c1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is NYNFHQSIJDCJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-32(30,31)18-9-7-17(8-10-18)26-23-25-14-12-20(28-23)22(29)27-21-15-24-13-11-19(21)16-5-3-2-4-6-16/h2-15H,1H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134542552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).