3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H22N4O3 — CID 109070942

IUPAC3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)Nc2cccc(C(C)=O)c2)n2ccccc12
InChIInChI=1S/C21H22N4O3/c1-4-24(5-2)21(28)18-17-11-6-7-12-25(17)19(23-18)20(27)22-16-10-8-9-15(13-16)14(3)26/h6-13H,4-5H2,1-3H3,(H,22,27)
InChIKeyQGHJTRIIUSEIRO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.27
Rot. Bonds6

About 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070942) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070942
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)Nc2cccc(C(C)=O)c2)n2ccccc12
InChIInChI=1S/C21H22N4O3/c1-4-24(5-2)21(28)18-17-11-6-7-12-25(17)19(23-18)20(27)22-16-10-8-9-15(13-16)14(3)26/h6-13H,4-5H2,1-3H3,(H,22,27)
InChIKeyQGHJTRIIUSEIRO-UHFFFAOYSA-N
XLogP3.27
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-diethyl-3-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070950
3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067486
3-N-(4-ethoxyphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070935
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
3-N-(4-methylphenyl)-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071668
methyl 4-[[3-(diethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109071028
3-N-(4-acetylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071397
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066935
1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067874
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069795
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070942) is 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(CC)C(=O)c1nc(C(=O)Nc2cccc(C(C)=O)c2)n2ccccc12.
What is the InChIKey of 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QGHJTRIIUSEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-24(5-2)21(28)18-17-11-6-7-12-25(17)19(23-18)20(27)22-16-10-8-9-15(13-16)14(3)26/h6-13H,4-5H2,1-3H3,(H,22,27).
What are the key properties of 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).