3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O3 — CID 109069112

IUPAC3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)N(C)Cc2ccccc2)n2ccccc12
InChIInChI=1S/C21H24N4O3/c1-24(15-16-9-4-3-5-10-16)21(27)19-23-18(17-11-6-7-13-25(17)19)20(26)22-12-8-14-28-2/h3-7,9-11,13H,8,12,14-15H2,1-2H3,(H,22,26)
InChIKeyNSSJXIAXHKYLSE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.37
Rot. Bonds8

About 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069112) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069112
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)N(C)Cc2ccccc2)n2ccccc12
InChIInChI=1S/C21H24N4O3/c1-24(15-16-9-4-3-5-10-16)21(27)19-23-18(17-11-6-7-13-25(17)19)20(26)22-12-8-14-28-2/h3-7,9-11,13H,8,12,14-15H2,1-2H3,(H,22,26)
InChIKeyNSSJXIAXHKYLSE-UHFFFAOYSA-N
XLogP2.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070118
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445
3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070565
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
N-benzyl-N-methyl-1-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068377
3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068926
1-N-benzyl-3-N-cyclopentyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068277
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069113
3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071365
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
1-N-benzyl-1-N-methyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070440

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069112) is 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCCNC(=O)c1nc(C(=O)N(C)Cc2ccccc2)n2ccccc12.
What is the InChIKey of 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NSSJXIAXHKYLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24(15-16-9-4-3-5-10-16)21(27)19-23-18(17-11-6-7-13-25(17)19)20(26)22-12-8-14-28-2/h3-7,9-11,13H,8,12,14-15H2,1-2H3,(H,22,26).
What are the key properties of 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).