1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H28N4O3 — CID 109068824

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)NCCC2=CCCCC2)c2ccccn12
InChIInChI=1S/C21H28N4O3/c1-28-15-7-12-22-21(27)19-24-18(17-10-5-6-14-25(17)19)20(26)23-13-11-16-8-3-2-4-9-16/h5-6,8,10,14H,2-4,7,9,11-13,15H2,1H3,(H,22,27)(H,23,26)
InChIKeyVYXOOFQYQJHQBI-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.72
Rot. Bonds9

About 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109068824) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109068824
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)NCCC2=CCCCC2)c2ccccn12
InChIInChI=1S/C21H28N4O3/c1-28-15-7-12-22-21(27)19-24-18(17-10-5-6-14-25(17)19)20(26)23-13-11-16-8-3-2-4-9-16/h5-6,8,10,14H,2-4,7,9,11-13,15H2,1H3,(H,22,27)(H,23,26)
InChIKeyVYXOOFQYQJHQBI-UHFFFAOYSA-N
XLogP2.72
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647531
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069113
3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068890
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069112
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069144
1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069254
1-[2-(cyclohexen-1-yl)ethyl]-3-(5-methoxypentyl)urea
CID 122160040
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067644
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067160
methyl 4-[[3-(2-methoxyethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109069080
1-N-[(2-chlorophenyl)methyl]-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068997

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109068824) is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCCNC(=O)c1nc(C(=O)NCCC2=CCCCC2)c2ccccn12.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is VYXOOFQYQJHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-28-15-7-12-22-21(27)19-24-18(17-10-5-6-14-25(17)19)20(26)23-13-11-16-8-3-2-4-9-16/h5-6,8,10,14H,2-4,7,9,11-13,15H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109068824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).