3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C24H22N4O2 — CID 109071048

IUPAC3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(C(=O)Nc2ccccc2)n2ccccc12
InChIInChI=1S/C24H22N4O2/c29-23(25-16-9-12-18-10-3-1-4-11-18)21-20-15-7-8-17-28(20)22(27-21)24(30)26-19-13-5-2-6-14-19/h1-8,10-11,13-15,17H,9,12,16H2,(H,25,29)(H,26,30)
InChIKeyQYOJHTFERQKDGR-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.95
Rot. Bonds7

About 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071048) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071048
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(C(=O)Nc2ccccc2)n2ccccc12
InChIInChI=1S/C24H22N4O2/c29-23(25-16-9-12-18-10-3-1-4-11-18)21-20-15-7-8-17-28(20)22(27-21)24(30)26-19-13-5-2-6-14-19/h1-8,10-11,13-15,17H,9,12,16H2,(H,25,29)(H,26,30)
InChIKeyQYOJHTFERQKDGR-UHFFFAOYSA-N
XLogP3.95
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067017
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068073
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385
1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067203
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069806
3-N-(4-acetylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071397
3-N-(4-chlorophenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065952
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-(4-ethylphenyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068925

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071048) is 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCCCc1ccccc1)c1nc(C(=O)Nc2ccccc2)n2ccccc12.
What is the InChIKey of 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QYOJHTFERQKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(25-16-9-12-18-10-3-1-4-11-18)21-20-15-7-8-17-28(20)22(27-21)24(30)26-19-13-5-2-6-14-19/h1-8,10-11,13-15,17H,9,12,16H2,(H,25,29)(H,26,30).
What are the key properties of 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).