3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H22N4O3 — CID 109067486

IUPAC3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(C(=O)NCC(C)C)c3ccccn23)c1
InChIInChI=1S/C21H22N4O3/c1-13(2)12-22-20(27)18-17-9-4-5-10-25(17)19(24-18)21(28)23-16-8-6-7-15(11-16)14(3)26/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyXTSKCDWOMMLKJQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.17
Rot. Bonds6

About 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067486) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067486
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nc(C(=O)NCC(C)C)c3ccccn23)c1
InChIInChI=1S/C21H22N4O3/c1-13(2)12-22-20(27)18-17-9-4-5-10-25(17)19(24-18)21(28)23-16-8-6-7-15(11-16)14(3)26/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyXTSKCDWOMMLKJQ-UHFFFAOYSA-N
XLogP3.17
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3-acetylphenyl)-1-N,1-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070942
1-N-(3,4-difluorophenyl)-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067635
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067874
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067474
3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066935
3-N-(4-acetylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071397
3-N-(2-methoxy-5-methylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067480
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
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-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067486) is 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(=O)c1cccc(NC(=O)c2nc(C(=O)NCC(C)C)c3ccccn23)c1.
What is the InChIKey of 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is XTSKCDWOMMLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(2)12-22-20(27)18-17-9-4-5-10-25(17)19(24-18)21(28)23-16-8-6-7-15(11-16)14(3)26/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).