3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H26N4O3 — CID 109071283

IUPAC3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1nc(C(=O)NCCC(C)C)c2ccccn12
InChIInChI=1S/C22H26N4O3/c1-4-29-18-11-6-5-9-16(18)24-22(28)20-25-19(17-10-7-8-14-26(17)20)21(27)23-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyBJJCESCTYODVMZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.76
Rot. Bonds8

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

3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071283) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071283
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1nc(C(=O)NCCC(C)C)c2ccccn12
InChIInChI=1S/C22H26N4O3/c1-4-29-18-11-6-5-9-16(18)24-22(28)20-25-19(17-10-7-8-14-26(17)20)21(27)23-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyBJJCESCTYODVMZ-UHFFFAOYSA-N
XLogP3.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071293
3-N-(2,5-dimethylphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071259
1-N-butan-2-yl-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067690
N-(2-ethoxyphenyl)-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068537
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464
3-N-cyclohexyl-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068652
3-N-(3-methylbutyl)-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071304
3-N-butyl-1-N-(2-propan-2-ylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067327
1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071322
1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070474
3-N-(4-ethoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065965
3-N-butan-2-yl-1-N-(2-propan-2-yloxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067867

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071283) is 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCOc1ccccc1NC(=O)c1nc(C(=O)NCCC(C)C)c2ccccn12.
What is the InChIKey of 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is BJJCESCTYODVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-29-18-11-6-5-9-16(18)24-22(28)20-25-19(17-10-7-8-14-26(17)20)21(27)23-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxyphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).