1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H26N4O3 — CID 109067160

IUPAC1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCc2cccc(OC)c2)n2ccccc12
InChIInChI=1S/C22H26N4O3/c1-3-4-12-23-21(27)19-18-10-5-6-14-26(18)20(25-19)22(28)24-13-11-16-8-7-9-17(15-16)29-2/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAAYQOLDVQZZDLA-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.85
Rot. Bonds9

About 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067160) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067160
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCc2cccc(OC)c2)n2ccccc12
InChIInChI=1S/C22H26N4O3/c1-3-4-12-23-21(27)19-18-10-5-6-14-26(18)20(25-19)22(28)24-13-11-16-8-7-9-17(15-16)29-2/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAAYQOLDVQZZDLA-UHFFFAOYSA-N
XLogP2.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067549
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066366
1-N-butan-2-yl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067678
3-N-[2-(3-chlorophenyl)ethyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065922
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070680
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
3-N-(2-methylpropyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067562
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067160) is 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)NCCc2cccc(OC)c2)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is AAYQOLDVQZZDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-4-12-23-21(27)19-18-10-5-6-14-26(18)20(25-19)22(28)24-13-11-16-8-7-9-17(15-16)29-2/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).