3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O2 — CID 109067325

IUPAC3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N(CC)c2ccccc2)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-3-5-14-22-20(26)19-23-18(17-13-9-10-15-25(17)19)21(27)24(4-2)16-11-7-6-8-12-16/h6-13,15H,3-5,14H2,1-2H3,(H,22,26)
InChIKeyKSGQFMIASHXFME-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.53
Rot. Bonds7

About 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067325) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067325
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N(CC)c2ccccc2)c2ccccn12
InChIInChI=1S/C21H24N4O2/c1-3-5-14-22-20(26)19-23-18(17-13-9-10-15-25(17)19)21(27)24(4-2)16-11-7-6-8-12-16/h6-13,15H,3-5,14H2,1-2H3,(H,22,26)
InChIKeyKSGQFMIASHXFME-UHFFFAOYSA-N
XLogP3.53
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.53
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

1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
3-N-butan-2-yl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067841
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068926
3-N-methyl-1-N-pentyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071365
3-N-ethyl-3-N-phenyl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071679
1-N-butyl-3-N-tert-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067169
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070565
3-N-ethyl-1-N-(2-methylphenyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071878
1-N-(4-acetylphenyl)-3-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067357
3-N-ethyl-1-N-(4-methylphenyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071956

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067325) is 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)N(CC)c2ccccc2)c2ccccn12.
What is the InChIKey of 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is KSGQFMIASHXFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-5-14-22-20(26)19-23-18(17-13-9-10-15-25(17)19)21(27)24(4-2)16-11-7-6-8-12-16/h6-13,15H,3-5,14H2,1-2H3,(H,22,26).
What are the key properties of 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-ethyl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).