1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H19N5O2 — CID 109067760

IUPAC1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12
InChIInChI=1S/C20H19N5O2/c1-3-13(2)22-19(26)17-16-6-4-5-11-25(16)18(24-17)20(27)23-15-9-7-14(12-21)8-10-15/h4-11,13H,3H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYMFQRQUNEBATAT-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.99
Rot. Bonds5

About 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067760) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067760
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12
InChIInChI=1S/C20H19N5O2/c1-3-13(2)22-19(26)17-16-6-4-5-11-25(16)18(24-17)20(27)23-15-9-7-14(12-21)8-10-15/h4-11,13H,3H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYMFQRQUNEBATAT-UHFFFAOYSA-N
XLogP2.99
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-butan-2-yl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067826
3-N-(4-ethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066252
1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067714
1-N-butan-2-yl-3-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067765
1-N-butan-2-yl-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067690
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067644
1-N-(4-cyanophenyl)-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068351
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-butan-2-yl-1-N-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067845
3-N-(4-methylphenyl)-1-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070418
3-N-butan-2-yl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067823

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067760) is 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCC(C)NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12.
What is the InChIKey of 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YMFQRQUNEBATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-13(2)22-19(26)17-16-6-4-5-11-25(16)18(24-17)20(27)23-15-9-7-14(12-21)8-10-15/h4-11,13H,3H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).