1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O2 — CID 109071416

IUPAC1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2ccccc2C)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-3-4-8-13-22-21(27)19-24-18(17-12-7-9-14-25(17)19)20(26)23-16-11-6-5-10-15(16)2/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,22,27)(H,23,26)
InChIKeySQTROTZEGSTKPI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.82
Rot. Bonds7

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

1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071416) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071416
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2ccccc2C)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-3-4-8-13-22-21(27)19-24-18(17-12-7-9-14-25(17)19)20(26)23-16-11-6-5-10-15(16)2/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,22,27)(H,23,26)
InChIKeySQTROTZEGSTKPI-UHFFFAOYSA-N
XLogP3.82
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.82
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-(4-chloro-2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071442
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071372
3-N-(2-ethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071374
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
3-N-butyl-1-N-(2-propan-2-ylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067327
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
1-N-(2-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067031
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067209
3-N-(2-methylphenyl)-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070314
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071416) is 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)Nc2ccccc2C)c2ccccn12.
What is the InChIKey of 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is SQTROTZEGSTKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-4-8-13-22-21(27)19-24-18(17-12-7-9-14-25(17)19)20(26)23-16-11-6-5-10-15(16)2/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).