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

C21H25N3O — CID 110313770

IUPACN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCCc1ncc2ccccn12)c1ccccc1
InChIInChI=1S/C21H25N3O/c1-16(2)19(17-8-4-3-5-9-17)14-21(25)22-12-11-20-23-15-18-10-6-7-13-24(18)20/h3-10,13,15-16,19H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyVYMMEZUHOICTCE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.82
Rot. Bonds7

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

N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide (PubChem CID 110313770) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide
PubChem CID110313770
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)NCCc1ncc2ccccn12)c1ccccc1
InChIInChI=1S/C21H25N3O/c1-16(2)19(17-8-4-3-5-9-17)14-21(25)22-12-11-20-23-15-18-10-6-7-13-24(18)20/h3-10,13,15-16,19H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyVYMMEZUHOICTCE-UHFFFAOYSA-N
XLogP3.82
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(imidazo[1,5-a]pyridin-3-ylmethyl)-4-methyl-3-phenylpentanamide
CID 110619655
2-(dimethylamino)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-phenylacetamide
CID 110630830
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2,2-diphenylacetamide
CID 112500611
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110309579
N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide
CID 110675061
4-(2-chlorophenyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-oxobutanamide
CID 110630905
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110630869
1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
CID 110630952
4-(dimethylsulfamoyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 112500596
3-(4-chlorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2-methylpropanamide
CID 110309721
3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 110630921
3-(4-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)pentanamide
CID 110609958

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide?
The IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide (CID 110313770) is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide is CC(C)C(CC(=O)NCCc1ncc2ccccn12)c1ccccc1.
What is the InChIKey of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide?
The InChIKey is VYMMEZUHOICTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(2)19(17-8-4-3-5-9-17)14-21(25)22-12-11-20-23-15-18-10-6-7-13-24(18)20/h3-10,13,15-16,19H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide?
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide has a molecular weight of 335.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 110313770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).