N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

C16H22N4O2 — CID 110674791

IUPACN-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)NCCNC(=O)c1nc(CC(C)C)n2ccccc12
InChIInChI=1S/C16H22N4O2/c1-11(2)10-14-19-15(13-6-4-5-9-20(13)14)16(22)18-8-7-17-12(3)21/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyFSGCXUYUTJSSDT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.40
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110674791) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110674791
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)NCCNC(=O)c1nc(CC(C)C)n2ccccc12
InChIInChI=1S/C16H22N4O2/c1-11(2)10-14-19-15(13-6-4-5-9-20(13)14)16(22)18-8-7-17-12(3)21/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyFSGCXUYUTJSSDT-UHFFFAOYSA-N
XLogP1.40
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.40
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-(4-acetamidophenyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110423911
N-(4-methoxybutyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110610181
3-ethyl-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674606
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110625372
N-[4-(cyclopropanecarbonyl)phenyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110425878
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110621614
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110426409
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
N-(3-acetamidopropyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630719
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
3-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110612966
N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630721

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 110674791) is N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is CC(=O)NCCNC(=O)c1nc(CC(C)C)n2ccccc12.
What is the InChIKey of N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FSGCXUYUTJSSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)10-14-19-15(13-6-4-5-9-20(13)14)16(22)18-8-7-17-12(3)21/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.40, 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-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110674791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).