3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H26N4O2 — CID 109071372

IUPAC3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2C)n2ccccc12
InChIInChI=1S/C22H26N4O2/c1-4-5-7-13-23-21(27)19-17-12-6-8-14-26(17)20(24-19)22(28)25-18-15(2)10-9-11-16(18)3/h6,8-12,14H,4-5,7,13H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyFOFRBRIUCSMCPP-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.12
Rot. Bonds7

About 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071372) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071372
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2C)n2ccccc12
InChIInChI=1S/C22H26N4O2/c1-4-5-7-13-23-21(27)19-17-12-6-8-14-26(17)20(24-19)22(28)25-18-15(2)10-9-11-16(18)3/h6,8-12,14H,4-5,7,13H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyFOFRBRIUCSMCPP-UHFFFAOYSA-N
XLogP4.12
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.12
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-ethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071374
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
1-N-(3,5-dimethylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071425
3-N-(4-acetylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071397
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
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
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
1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071322

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071372) is 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2C)n2ccccc12.
What is the InChIKey of 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is FOFRBRIUCSMCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-5-7-13-23-21(27)19-17-12-6-8-14-26(17)20(24-19)22(28)25-18-15(2)10-9-11-16(18)3/h6,8-12,14H,4-5,7,13H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).