N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide

C14H18N4O2 — CID 110675061

IUPACN-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide
SMILESCC(=O)NCCNC(=O)CCc1ncc2ccccn12
InChIInChI=1S/C14H18N4O2/c1-11(19)15-7-8-16-14(20)6-5-13-17-10-12-4-2-3-9-18(12)13/h2-4,9-10H,5-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyKULGEOKHYQONBY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.52
Rot. Bonds6

About N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide

N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide (PubChem CID 110675061) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide
PubChem CID110675061
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide
SMILESCC(=O)NCCNC(=O)CCc1ncc2ccccn12
InChIInChI=1S/C14H18N4O2/c1-11(19)15-7-8-16-14(20)6-5-13-17-10-12-4-2-3-9-18(12)13/h2-4,9-10H,5-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyKULGEOKHYQONBY-UHFFFAOYSA-N
XLogP0.52
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110309579
4-(2-chlorophenyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-oxobutanamide
CID 110630905
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
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide
CID 110313770
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2,2-diphenylacetamide
CID 112500611
3-imidazo[1,5-a]pyridin-3-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 110675075
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide
CID 110354647
2-(dimethylamino)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-phenylacetamide
CID 110630830
N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700711
1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
CID 110630952
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110630880

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide (CID 110675061) is N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide is CC(=O)NCCNC(=O)CCc1ncc2ccccn12.
What is the InChIKey of N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide?
The InChIKey is KULGEOKHYQONBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(19)15-7-8-16-14(20)6-5-13-17-10-12-4-2-3-9-18(12)13/h2-4,9-10H,5-8H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide?
N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide is sourced from PubChem (CID 110675061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).