1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C24H22N4O2 — CID 109070223

IUPAC1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(NC(=O)c1nc(C(=O)NCc2ccccc2)c2ccccn12)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-17(19-12-6-3-7-13-19)26-24(30)22-27-21(20-14-8-9-15-28(20)22)23(29)25-16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyNGDSBAVIPTVEGT-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.76
Rot. Bonds6

About 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070223) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070223
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(NC(=O)c1nc(C(=O)NCc2ccccc2)c2ccccn12)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-17(19-12-6-3-7-13-19)26-24(30)22-27-21(20-14-8-9-15-28(20)22)23(29)25-16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyNGDSBAVIPTVEGT-UHFFFAOYSA-N
XLogP3.76
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
3-N-methyl-3-N-phenyl-1-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070419
3-N-(4-methylphenyl)-1-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070418
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
1-N-[(4-chlorophenyl)methyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067536
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
3-N-benzyl-1-N-(2-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070292
1-N-tert-butyl-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070357
1-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070429
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070223) is 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(NC(=O)c1nc(C(=O)NCc2ccccc2)c2ccccn12)c1ccccc1.
What is the InChIKey of 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NGDSBAVIPTVEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17(19-12-6-3-7-13-19)26-24(30)22-27-21(20-14-8-9-15-28(20)22)23(29)25-16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).