N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide

C20H21N3O2 — CID 110309579

IUPACN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ncc3ccccn23)cc1
InChIInChI=1S/C20H21N3O2/c1-15-5-7-16(8-6-15)18(24)9-10-20(25)21-12-11-19-22-14-17-4-2-3-13-23(17)19/h2-8,13-14H,9-12H2,1H3,(H,21,25)
InChIKeyGGAHCBRURKZOGF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.96
Rot. Bonds7

About N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide

N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 110309579) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID110309579
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ncc3ccccn23)cc1
InChIInChI=1S/C20H21N3O2/c1-15-5-7-16(8-6-15)18(24)9-10-20(25)21-12-11-19-22-14-17-4-2-3-13-23(17)19/h2-8,13-14H,9-12H2,1H3,(H,21,25)
InChIKeyGGAHCBRURKZOGF-UHFFFAOYSA-N
XLogP2.96
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-oxobutanamide
CID 110630905
N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide
CID 110675061
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide
CID 110313770
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110630880
4-(dimethylsulfamoyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 112500596
3-imidazo[1,5-a]pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110675048
3-(4-fluorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)propanamide
CID 110630927
2-(dimethylamino)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-phenylacetamide
CID 110630830
3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 110630921
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide
CID 110354647
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
2-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539580

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide (CID 110309579) is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCCc2ncc3ccccn23)cc1.
What is the InChIKey of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is GGAHCBRURKZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-5-7-16(8-6-15)18(24)9-10-20(25)21-12-11-19-22-14-17-4-2-3-13-23(17)19/h2-8,13-14H,9-12H2,1H3,(H,21,25).
What are the key properties of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 335.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110309579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).