5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide

C11H9ClN4OS — CID 2980431

IUPAC5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2cccnc2)n1
InChIInChI=1S/C11H9ClN4OS/c1-18-11-14-6-8(12)9(16-11)10(17)15-7-3-2-4-13-5-7/h2-6H,1H3,(H,15,17)
InChIKeyQTHZLYHZGGWBQD-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.50
Rot. Bonds3

About 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide

5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide (PubChem CID 2980431) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide
PubChem CID2980431
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2cccnc2)n1
InChIInChI=1S/C11H9ClN4OS/c1-18-11-14-6-8(12)9(16-11)10(17)15-7-3-2-4-13-5-7/h2-6H,1H3,(H,15,17)
InChIKeyQTHZLYHZGGWBQD-UHFFFAOYSA-N
XLogP2.50
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-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 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide (CID 2980431) is 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)Nc2cccnc2)n1.
What is the InChIKey of 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide?
The InChIKey is QTHZLYHZGGWBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c1-18-11-14-6-8(12)9(16-11)10(17)15-7-3-2-4-13-5-7/h2-6H,1H3,(H,15,17).
What are the key properties of 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide?
5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide has a molecular weight of 280.74 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 2980431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).