3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H26N4O3 — CID 109071555

IUPAC3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2ccc(OCC)cc2)c2ccccn12
InChIInChI=1S/C22H26N4O3/c1-4-6-14-25(3)22(28)20-24-19(18-9-7-8-15-26(18)20)21(27)23-16-10-12-17(13-11-16)29-5-2/h7-13,15H,4-6,14H2,1-3H3,(H,23,27)
InChIKeyNBVBKAUDRSVLKO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.86
Rot. Bonds8

About 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071555) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071555
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2ccc(OCC)cc2)c2ccccn12
InChIInChI=1S/C22H26N4O3/c1-4-6-14-25(3)22(28)20-24-19(18-9-7-8-15-26(18)20)21(27)23-16-10-12-17(13-11-16)29-5-2/h7-13,15H,4-6,14H2,1-3H3,(H,23,27)
InChIKeyNBVBKAUDRSVLKO-UHFFFAOYSA-N
XLogP3.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069641
3-N-(4-ethoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065965
3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071524
1-N-(4-ethoxyphenyl)-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069067
3-N-(4-ethoxyphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070935
3-N-butyl-1-N-(2,4-dimethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071529
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071479
3-N-methyl-1-N-phenyl-3-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070858
1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
3-N-butyl-3-N-methyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070647
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071555) is 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)Nc2ccc(OCC)cc2)c2ccccn12.
What is the InChIKey of 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NBVBKAUDRSVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-6-14-25(3)22(28)20-24-19(18-9-7-8-15-26(18)20)21(27)23-16-10-12-17(13-11-16)29-5-2/h7-13,15H,4-6,14H2,1-3H3,(H,23,27).
What are the key properties of 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).