1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O4 — CID 109069254

IUPAC1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)Nc2cc(C)ccc2OC)c2ccccn12
InChIInChI=1S/C21H24N4O4/c1-14-8-9-17(29-3)15(13-14)23-20(26)18-16-7-4-5-11-25(16)19(24-18)21(27)22-10-6-12-28-2/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyNPUYSRPXIHETJN-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.67
Rot. Bonds8

About 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069254) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069254
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)Nc2cc(C)ccc2OC)c2ccccn12
InChIInChI=1S/C21H24N4O4/c1-14-8-9-17(29-3)15(13-14)23-20(26)18-16-7-4-5-11-25(16)19(24-18)21(27)22-10-6-12-28-2/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyNPUYSRPXIHETJN-UHFFFAOYSA-N
XLogP2.67
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067480
1-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066436
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
3-N-[2-(dimethylamino)ethyl]-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069705
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-(2,5-dimethylphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071259
1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071416
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069113
3-N-tert-butyl-1-N-(2,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071186
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068824

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069254) is 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCCNC(=O)c1nc(C(=O)Nc2cc(C)ccc2OC)c2ccccn12.
What is the InChIKey of 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NPUYSRPXIHETJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14-8-9-17(29-3)15(13-14)23-20(26)18-16-7-4-5-11-25(16)19(24-18)21(27)22-10-6-12-28-2/h4-5,7-9,11,13H,6,10,12H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).