3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H21ClN4O2 — CID 109065922

IUPAC3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NCCc2cccc(Cl)c2)n2ccccc12
InChIInChI=1S/C20H21ClN4O2/c1-2-10-22-19(26)17-16-8-3-4-12-25(16)18(24-17)20(27)23-11-9-14-6-5-7-15(21)13-14/h3-8,12-13H,2,9-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyHFQMTBPQJMJYRK-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.10
Rot. Bonds7

About 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109065922) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109065922
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NCCc2cccc(Cl)c2)n2ccccc12
InChIInChI=1S/C20H21ClN4O2/c1-2-10-22-19(26)17-16-8-3-4-12-25(16)18(24-17)20(27)23-11-9-14-6-5-7-15(21)13-14/h3-8,12-13H,2,9-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyHFQMTBPQJMJYRK-UHFFFAOYSA-N
XLogP3.10
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,4-dichlorophenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066150
1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067160
3-N-[(3-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065876
1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067549
1-N-butan-2-yl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067673
1-N-(4-chloro-2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071442
1-N-butan-2-yl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067678
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066366
1-N-(3,4-dimethylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066090

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109065922) is 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCNC(=O)c1nc(C(=O)NCCc2cccc(Cl)c2)n2ccccc12.
What is the InChIKey of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HFQMTBPQJMJYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-2-10-22-19(26)17-16-8-3-4-12-25(16)18(24-17)20(27)23-11-9-14-6-5-7-15(21)13-14/h3-8,12-13H,2,9-11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109065922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).