1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H26N4O2 — CID 109067714

IUPAC1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nc(C(=O)NC(C)CC)c2ccccn12
InChIInChI=1S/C22H26N4O2/c1-5-15(4)23-21(27)19-17-12-7-8-13-26(17)20(24-19)22(28)25-18-14(3)10-9-11-16(18)6-2/h7-13,15H,5-6H2,1-4H3,(H,23,27)(H,25,28)
InChIKeyYRFQZPOVKGOIGS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.99
Rot. Bonds6

About 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067714) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067714
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nc(C(=O)NC(C)CC)c2ccccn12
InChIInChI=1S/C22H26N4O2/c1-5-15(4)23-21(27)19-17-12-7-8-13-26(17)20(24-19)22(28)25-18-14(3)10-9-11-16(18)6-2/h7-13,15H,5-6H2,1-4H3,(H,23,27)(H,25,28)
InChIKeyYRFQZPOVKGOIGS-UHFFFAOYSA-N
XLogP3.99
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071322
3-N-butan-2-yl-1-N-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067845
1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067760
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067644
1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067874
3-N-(2,6-dimethylphenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071372
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
1-N-butan-2-yl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067673
3-N-butan-2-yl-1-N-(2-propan-2-yloxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067867
3-N-(4-ethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066252
3-N-butan-2-yl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067823
3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
CID 109051527

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067714) is 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCc1cccc(C)c1NC(=O)c1nc(C(=O)NC(C)CC)c2ccccn12.
What is the InChIKey of 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YRFQZPOVKGOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-15(4)23-21(27)19-17-12-7-8-13-26(17)20(24-19)22(28)25-18-14(3)10-9-11-16(18)6-2/h7-13,15H,5-6H2,1-4H3,(H,23,27)(H,25,28).
What are the key properties of 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).