3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H33N5O2 — CID 109075626

About 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075626) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109075626
• Molecular Formula: C20H33N5O2
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.26
• IUPAC Name: 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: CN(C)CCNC(=O)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2
• InChI: InChI=1S/C20H33N5O2/c1-24(2)14-12-21-19(26)17-16-11-7-8-13-25(16)18(23-17)20(27)22-15-9-5-3-4-6-10-15/h15H,3-14H2,1-2H3,(H,21,26)(H,22,27)
• InChIKey: WZDFRPYWALROCK-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075626) is 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(C)CCNC(=O)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2.

What is the InChIKey of 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is WZDFRPYWALROCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-24(2)14-12-21-19(26)17-16-11-7-8-13-25(16)18(23-17)20(27)22-15-9-5-3-4-6-10-15/h15H,3-14H2,1-2H3,(H,21,26)(H,22,27).

What are the key properties of 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).