N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide

C11H10N4O3S — CID 175563200

IUPACN-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ncc(NC(=O)c2ccncc2)cn1
InChIInChI=1S/C11H10N4O3S/c1-19(17,18)11-13-6-9(7-14-11)15-10(16)8-2-4-12-5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyJVDYCROZMRPLHU-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.53
Rot. Bonds3

About N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide

N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 175563200) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide
PubChem CID175563200
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC NameN-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ncc(NC(=O)c2ccncc2)cn1
InChIInChI=1S/C11H10N4O3S/c1-19(17,18)11-13-6-9(7-14-11)15-10(16)8-2-4-12-5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyJVDYCROZMRPLHU-UHFFFAOYSA-N
XLogP0.53
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylsulfonylpyrimidin-5-yl)pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide (CID 175563200) is N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide is CS(=O)(=O)c1ncc(NC(=O)c2ccncc2)cn1.
What is the InChIKey of N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide?
The InChIKey is JVDYCROZMRPLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-19(17,18)11-13-6-9(7-14-11)15-10(16)8-2-4-12-5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide?
N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide has a molecular weight of 278.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 175563200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).