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

C18H29N5O3 — CID 109075546

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

1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075546) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109075546
• Molecular Formula: C18H29N5O3
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.23
• IUPAC Name: 1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: CN(C)CCNC(=O)c1nc(C(=O)NCC2CCCO2)n2c1CCCC2
• InChI: InChI=1S/C18H29N5O3/c1-22(2)10-8-19-17(24)15-14-7-3-4-9-23(14)16(21-15)18(25)20-12-13-6-5-11-26-13/h13H,3-12H2,1-2H3,(H,19,24)(H,20,25)
• InChIKey: VXOSTGLJAJXPAC-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075546) is 1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

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

The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(C)CCNC(=O)c1nc(C(=O)NCC2CCCO2)n2c1CCCC2.

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

The InChIKey is VXOSTGLJAJXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-22(2)10-8-19-17(24)15-14-7-3-4-9-23(14)16(21-15)18(25)20-12-13-6-5-11-26-13/h13H,3-12H2,1-2H3,(H,19,24)(H,20,25).

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

1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).