N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide

C13H13N3OS — CID 18106906

IUPACN-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C13H13N3OS/c1-9-5-7-14-11(8-9)16-12(17)10-4-3-6-15-13(10)18-2/h3-8H,1-2H3,(H,14,16,17)
InChIKeyPLDGONCVKAQVNI-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.76
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide

N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 18106906) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID18106906
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C13H13N3OS/c1-9-5-7-14-11(8-9)16-12(17)10-4-3-6-15-13(10)18-2/h3-8H,1-2H3,(H,14,16,17)
InChIKeyPLDGONCVKAQVNI-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-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-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide (CID 18106906) is N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cc(C)ccn1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is PLDGONCVKAQVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-5-7-14-11(8-9)16-12(17)10-4-3-6-15-13(10)18-2/h3-8H,1-2H3,(H,14,16,17).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 18106906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).