3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H28N4O2 — CID 109070565

IUPAC3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)N(CC)Cc2ccccc2)n2ccccc12
InChIInChI=1S/C23H28N4O2/c1-3-5-10-15-24-22(28)20-19-14-9-11-16-27(19)21(25-20)23(29)26(4-2)17-18-12-7-6-8-13-18/h6-9,11-14,16H,3-5,10,15,17H2,1-2H3,(H,24,28)
InChIKeyJGDLSEUZRIMHHN-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.92
Rot. Bonds9

About 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070565) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070565
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1nc(C(=O)N(CC)Cc2ccccc2)n2ccccc12
InChIInChI=1S/C23H28N4O2/c1-3-5-10-15-24-22(28)20-19-14-9-11-16-27(19)21(25-20)23(29)26(4-2)17-18-12-7-6-8-13-18/h6-9,11-14,16H,3-5,10,15,17H2,1-2H3,(H,24,28)
InChIKeyJGDLSEUZRIMHHN-UHFFFAOYSA-N
XLogP3.92
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071365
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069112
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070825
1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070680
1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071372
3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067325
3-N-(2-ethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071374
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070565) is 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCCNC(=O)c1nc(C(=O)N(CC)Cc2ccccc2)n2ccccc12.
What is the InChIKey of 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is JGDLSEUZRIMHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-5-10-15-24-22(28)20-19-14-9-11-16-27(19)21(25-20)23(29)26(4-2)17-18-12-7-6-8-13-18/h6-9,11-14,16H,3-5,10,15,17H2,1-2H3,(H,24,28).
What are the key properties of 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).