N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide

C13H12N4OS — CID 71690320

IUPACN-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Sc2ncccn2)ccn1
InChIInChI=1S/C13H12N4OS/c18-12(17-9-2-3-9)11-8-10(4-7-14-11)19-13-15-5-1-6-16-13/h1,4-9H,2-3H2,(H,17,18)
InChIKeyKPZFFFALMVHONM-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.91
Rot. Bonds4

About N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide

N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide (PubChem CID 71690320) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
PubChem CID71690320
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Sc2ncccn2)ccn1
InChIInChI=1S/C13H12N4OS/c18-12(17-9-2-3-9)11-8-10(4-7-14-11)19-13-15-5-1-6-16-13/h1,4-9H,2-3H2,(H,17,18)
InChIKeyKPZFFFALMVHONM-UHFFFAOYSA-N
XLogP1.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide (CID 71690320) is N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide is O=C(NC1CC1)c1cc(Sc2ncccn2)ccn1.
What is the InChIKey of N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
The InChIKey is KPZFFFALMVHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-12(17-9-2-3-9)11-8-10(4-7-14-11)19-13-15-5-1-6-16-13/h1,4-9H,2-3H2,(H,17,18).
What are the key properties of N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide?
N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 71690320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).