3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O2 — CID 109067318

IUPAC3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2cc(C)ccc2C)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-4-5-11-22-21(27)19-24-18(17-8-6-7-12-25(17)19)20(26)23-16-13-14(2)9-10-15(16)3/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyDFHNXLIGIHPPEM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.73
Rot. Bonds6

About 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067318) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067318
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)Nc2cc(C)ccc2C)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-4-5-11-22-21(27)19-24-18(17-8-6-7-12-25(17)19)20(26)23-16-13-14(2)9-10-15(16)3/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyDFHNXLIGIHPPEM-UHFFFAOYSA-N
XLogP3.73
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.73
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

1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071416
3-N-[2-(dimethylamino)ethyl]-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069705
3-N-(2,5-dimethylphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071259
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
1-N-(4-chloro-2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071442
1-N-(2-methoxy-5-methylphenyl)-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069254
3-N-butyl-1-N-(2-propan-2-ylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067327
1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070693
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
3-N-cyclohexyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068666
1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067209

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067318) is 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)Nc2cc(C)ccc2C)c2ccccn12.
What is the InChIKey of 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DFHNXLIGIHPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-5-11-22-21(27)19-24-18(17-8-6-7-12-25(17)19)20(26)23-16-13-14(2)9-10-15(16)3/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).