2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide

C17H18N4OS — CID 20908523

IUPAC2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
SMILESCCC(Sc1nc2ncccc2[nH]1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N4OS/c1-3-14(16(22)19-12-8-6-11(2)7-9-12)23-17-20-13-5-4-10-18-15(13)21-17/h4-10,14H,3H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyJJGAWCIEWIBWBV-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.78
Rot. Bonds5

About 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide

2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide (PubChem CID 20908523) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
PubChem CID20908523
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
SMILESCCC(Sc1nc2ncccc2[nH]1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N4OS/c1-3-14(16(22)19-12-8-6-11(2)7-9-12)23-17-20-13-5-4-10-18-15(13)21-17/h4-10,14H,3H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyJJGAWCIEWIBWBV-UHFFFAOYSA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92742256
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide
CID 92503950
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 24557244
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886331
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
(2S)-N-(3-methylphenyl)-2-[(6-oxo-1,7-dihydropurin-2-yl)sulfanyl]butanamide
CID 136911948
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 3794006
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide
CID 23801438
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)butanamide
CID 23772258

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide (CID 20908523) is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide is CCC(Sc1nc2ncccc2[nH]1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide?
The InChIKey is JJGAWCIEWIBWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-14(16(22)19-12-8-6-11(2)7-9-12)23-17-20-13-5-4-10-18-15(13)21-17/h4-10,14H,3H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide?
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide has a molecular weight of 326.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 20908523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).