1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide

C14H17N3OS2 — CID 19781668

IUPAC1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide
SMILESCSc1cc(NN2C=CC=C(C(N)=O)C2)cc(SC)c1
InChIInChI=1S/C14H17N3OS2/c1-19-12-6-11(7-13(8-12)20-2)16-17-5-3-4-10(9-17)14(15)18/h3-8,16H,9H2,1-2H3,(H2,15,18)
InChIKeyWKYYALOSYQOTJB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.70
Rot. Bonds5

About 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide

1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide (PubChem CID 19781668) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide
PubChem CID19781668
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide
SMILESCSc1cc(NN2C=CC=C(C(N)=O)C2)cc(SC)c1
InChIInChI=1S/C14H17N3OS2/c1-19-12-6-11(7-13(8-12)20-2)16-17-5-3-4-10(9-17)14(15)18/h3-8,16H,9H2,1-2H3,(H2,15,18)
InChIKeyWKYYALOSYQOTJB-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-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 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide?
The IUPAC name of 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide (CID 19781668) is 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide is CSc1cc(NN2C=CC=C(C(N)=O)C2)cc(SC)c1.
What is the InChIKey of 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide?
The InChIKey is WKYYALOSYQOTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-19-12-6-11(7-13(8-12)20-2)16-17-5-3-4-10(9-17)14(15)18/h3-8,16H,9H2,1-2H3,(H2,15,18).
What are the key properties of 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide?
1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide is sourced from PubChem (CID 19781668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).