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

C21H21N5O2 — CID 109071293

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

3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071293) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109071293
• Molecular Formula: C21H21N5O2
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.17
• IUPAC Name: 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: CC(C)CCNC(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12
• InChI: InChI=1S/C21H21N5O2/c1-14(2)10-11-23-20(27)18-17-9-5-6-12-26(17)19(25-18)21(28)24-16-8-4-3-7-15(16)13-22/h3-9,12,14H,10-11H2,1-2H3,(H,23,27)(H,24,28)
• InChIKey: JLMSLAZLJMSDCJ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 99.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071293) is 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12.

What is the InChIKey of 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is JLMSLAZLJMSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14(2)10-11-23-20(27)18-17-9-5-6-12-26(17)19(25-18)21(28)24-16-8-4-3-7-15(16)13-22/h3-9,12,14H,10-11H2,1-2H3,(H,23,27)(H,24,28).

What are the key properties of 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(2-cyanophenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).