N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide

C19H20N4O2S — CID 46529920

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2ncc3ccccn23)c(C)c1
InChIInChI=1S/C19H20N4O2S/c1-12-7-8-16(13(2)10-12)21-18(25)22-17(24)14(3)26-19-20-11-15-6-4-5-9-23(15)19/h4-11,14H,1-3H3,(H2,21,22,24,25)
InChIKeyGGBBWJGEVXXHDB-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.78
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide (PubChem CID 46529920) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
PubChem CID46529920
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2ncc3ccccn23)c(C)c1
InChIInChI=1S/C19H20N4O2S/c1-12-7-8-16(13(2)10-12)21-18(25)22-17(24)14(3)26-19-20-11-15-6-4-5-9-23(15)19/h4-11,14H,1-3H3,(H2,21,22,24,25)
InChIKeyGGBBWJGEVXXHDB-UHFFFAOYSA-N
XLogP3.78
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24651805
(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 27507138
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 134038781
(2R)-N-(2-chlorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 40792477
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 46794291
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 112815810
(2R)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 27507079
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 25332600
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 43046729
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 24651011
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24651668
N-(4-bromo-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 17439635

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide (CID 46529920) is N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide is Cc1ccc(NC(=O)NC(=O)C(C)Sc2ncc3ccccn23)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
The InChIKey is GGBBWJGEVXXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-7-8-16(13(2)10-12)21-18(25)22-17(24)14(3)26-19-20-11-15-6-4-5-9-23(15)19/h4-11,14H,1-3H3,(H2,21,22,24,25).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide has a molecular weight of 368.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide is sourced from PubChem (CID 46529920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).