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

C19H30N6O3 — CID 109075775

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

N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109075775) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109075775
• Molecular Formula: C19H30N6O3
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.24
• IUPAC Name: N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CN(C)CCCNC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2
• InChI: InChI=1S/C19H30N6O3/c1-22(2)8-5-7-20-18(27)16-15-6-3-4-9-25(15)17(21-16)19(28)24-12-10-23(14-26)11-13-24/h14H,3-13H2,1-2H3,(H,20,27)
• InChIKey: PZKGOPLJTYKQAE-UHFFFAOYSA-N
• XLogP: -0.18
• TPSA: 90.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	-0.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109075775) is N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

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

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

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

The InChIKey is PZKGOPLJTYKQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-22(2)8-5-7-20-18(27)16-15-6-3-4-9-25(15)17(21-16)19(28)24-12-10-23(14-26)11-13-24/h14H,3-13H2,1-2H3,(H,20,27).

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

N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109075775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).