4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide

C32H44N6O — CID 135371489

About 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide

4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 135371489) has the molecular formula C32H44N6O and a molecular weight of 528.75 g/mol. Its IUPAC name is 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

• Compound Name: 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide
• PubChem CID: 135371489
• Molecular Formula: C32H44N6O
• Molecular Weight: 528.75 g/mol
• Exact Mass: 528.36
• IUPAC Name: 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide
• SMILES: Cc1cncc2c(NCCCN3CCCCC3)cc(-c3ccc(C(=O)NCCCN4CCCCC4)cc3)nc12
• InChI: InChI=1S/C32H44N6O/c1-25-23-33-24-28-30(34-14-8-20-37-16-4-2-5-17-37)22-29(36-31(25)28)26-10-12-27(13-11-26)32(39)35-15-9-21-38-18-6-3-7-19-38/h10-13,22-24H,2-9,14-21H2,1H3,(H,34,36)(H,35,39)
• InChIKey: XCNZTFYAQUKSLY-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 73.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.75
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide?

The IUPAC name of 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide (CID 135371489) is 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide.

What is the SMILES notation for 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide?

The canonical SMILES for 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide is Cc1cncc2c(NCCCN3CCCCC3)cc(-c3ccc(C(=O)NCCCN4CCCCC4)cc3)nc12.

What is the InChIKey of 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide?

The InChIKey is XCNZTFYAQUKSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N6O/c1-25-23-33-24-28-30(34-14-8-20-37-16-4-2-5-17-37)22-29(36-31(25)28)26-10-12-27(13-11-26)32(39)35-15-9-21-38-18-6-3-7-19-38/h10-13,22-24H,2-9,14-21H2,1H3,(H,34,36)(H,35,39).

What are the key properties of 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide?

4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 528.75 g/mol, XLogP of 5.50, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 135371489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).