3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

C16H16N4OS — CID 75473310

IUPAC3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCSCc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1
InChIInChI=1S/C16H16N4OS/c1-20-10-18-14-7-12(8-17-15(14)20)16(21)19-13-5-3-4-11(6-13)9-22-2/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyXMWZVXVEUNGDKD-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.08
Rot. Bonds4

About 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 75473310) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID75473310
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCSCc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1
InChIInChI=1S/C16H16N4OS/c1-20-10-18-14-7-12(8-17-15(14)20)16(21)19-13-5-3-4-11(6-13)9-22-2/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyXMWZVXVEUNGDKD-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-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

ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate
CID 176507137
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785
N-(3-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75509490
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
CID 8777105
3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75450999
3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501446
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75451095
4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51043033
N-[3-[(dimethylamino)methyl]phenyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212160
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 75473310) is 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is CSCc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1.
What is the InChIKey of 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is XMWZVXVEUNGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20-10-18-14-7-12(8-17-15(14)20)16(21)19-13-5-3-4-11(6-13)9-22-2/h3-8,10H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 75473310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).