N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C18H28N6O3 — CID 109075602

About N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109075602) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109075602
• Molecular Formula: C18H28N6O3
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.22
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CN(C)CCNC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2
• InChI: InChI=1S/C18H28N6O3/c1-21(2)8-6-19-17(26)15-14-5-3-4-7-24(14)16(20-15)18(27)23-11-9-22(13-25)10-12-23/h13H,3-12H2,1-2H3,(H,19,26)
• InChIKey: VHXCGTAWEOVIJV-UHFFFAOYSA-N
• XLogP: -0.57
• TPSA: 90.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109075602) is N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CN(C)CCNC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is VHXCGTAWEOVIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-21(2)8-6-19-17(26)15-14-5-3-4-7-24(14)16(20-15)18(27)23-11-9-22(13-25)10-12-23/h13H,3-12H2,1-2H3,(H,19,26).

What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109075602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).