2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide

C19H22N4OS — CID 20890966

IUPAC2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(Sc1nc2ccncc2[nH]1)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22N4OS/c1-5-16(25-19-21-14-6-7-20-10-15(14)22-19)18(24)23-17-12(3)8-11(2)9-13(17)4/h6-10,16H,5H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyIFPNZFVWGJCMAI-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.39
Rot. Bonds5

About 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide

2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 20890966) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID20890966
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(Sc1nc2ccncc2[nH]1)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H22N4OS/c1-5-16(25-19-21-14-6-7-20-10-15(14)22-19)18(24)23-17-12(3)8-11(2)9-13(17)4/h6-10,16H,5H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyIFPNZFVWGJCMAI-UHFFFAOYSA-N
XLogP4.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide 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-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
CID 6625456
(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92701625
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 136687636
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 24557244
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 23772194
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 62901634
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086
2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide
CID 22592169
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
CID 20908523

Frequently Asked Questions

What is the IUPAC name of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide (CID 20890966) is 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide is CCC(Sc1nc2ccncc2[nH]1)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is IFPNZFVWGJCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-5-16(25-19-21-14-6-7-20-10-15(14)22-19)18(24)23-17-12(3)8-11(2)9-13(17)4/h6-10,16H,5H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide?
2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 354.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 20890966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).