2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide

C16H14N4O3S — CID 46794291

IUPAC2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
SMILESCC(Sc1ncc2ccccn12)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O3S/c1-11(24-16-17-10-12-6-4-5-9-19(12)16)15(21)18-13-7-2-3-8-14(13)20(22)23/h2-11H,1H3,(H,18,21)
InChIKeyUNGLJXWSTSWQJS-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.36
Rot. Bonds5

About 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide

2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide (PubChem CID 46794291) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
PubChem CID46794291
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
SMILESCC(Sc1ncc2ccccn12)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O3S/c1-11(24-16-17-10-12-6-4-5-9-19(12)16)15(21)18-13-7-2-3-8-14(13)20(22)23/h2-11H,1H3,(H,18,21)
InChIKeyUNGLJXWSTSWQJS-UHFFFAOYSA-N
XLogP3.36
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 40792477
(2R)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 27507079
(2R)-N-(tert-butylcarbamoyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 27507138
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide
CID 8723313
(2S)-N-[4-(difluoromethoxy)phenyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 25356249
(2S)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196767
(2R)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196768
N-(2-nitrophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46508122
N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 46529920
N-(2-nitrophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 55368281
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7847873
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 5039601

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide (CID 46794291) is 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide is CC(Sc1ncc2ccccn12)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide?
The InChIKey is UNGLJXWSTSWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-11(24-16-17-10-12-6-4-5-9-19(12)16)15(21)18-13-7-2-3-8-14(13)20(22)23/h2-11H,1H3,(H,18,21).
What are the key properties of 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide?
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide has a molecular weight of 342.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 46794291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).