N-ethyl-2-methylsulfanylpyridine-3-carboxamide

C9H12N2OS — CID 18712295

IUPACN-ethyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1SC
InChIInChI=1S/C9H12N2OS/c1-3-10-8(12)7-5-4-6-11-9(7)13-2/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyUOHQLCPNUJJVHM-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.55
Rot. Bonds3

About N-ethyl-2-methylsulfanylpyridine-3-carboxamide

N-ethyl-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 18712295) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanylpyridine-3-carboxamide
PubChem CID18712295
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN-ethyl-2-methylsulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1SC
InChIInChI=1S/C9H12N2OS/c1-3-10-8(12)7-5-4-6-11-9(7)13-2/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyUOHQLCPNUJJVHM-UHFFFAOYSA-N
XLogP1.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-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

Related Compounds

N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038893
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 56724202
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-methylsulfanylpyridine-3-carboxamide (CID 18712295) is N-ethyl-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methylsulfanylpyridine-3-carboxamide is CCNC(=O)c1cccnc1SC.
What is the InChIKey of N-ethyl-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is UOHQLCPNUJJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-3-10-8(12)7-5-4-6-11-9(7)13-2/h4-6H,3H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-2-methylsulfanylpyridine-3-carboxamide?
N-ethyl-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 18712295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).