4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide

C23H27ClN4O2 — CID 53079749

About 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide

4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 53079749) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
• PubChem CID: 53079749
• Molecular Formula: C23H27ClN4O2
• Molecular Weight: 426.95 g/mol
• Exact Mass: 426.18
• IUPAC Name: 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
• SMILES: Cc1ccc(Nc2nc(C(=O)NCCCN3CCCCC3)cc3occc23)cc1Cl
• InChI: InChI=1S/C23H27ClN4O2/c1-16-6-7-17(14-19(16)24)26-22-18-8-13-30-21(18)15-20(27-22)23(29)25-9-5-12-28-10-3-2-4-11-28/h6-8,13-15H,2-5,9-12H2,1H3,(H,25,29)(H,26,27)
• InChIKey: DHRVRFUUDGUQAK-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 70.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.95
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?

The IUPAC name of 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide (CID 53079749) is 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide.

What is the SMILES notation for 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?

The canonical SMILES for 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide is Cc1ccc(Nc2nc(C(=O)NCCCN3CCCCC3)cc3occc23)cc1Cl.

What is the InChIKey of 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?

The InChIKey is DHRVRFUUDGUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-16-6-7-17(14-19(16)24)26-22-18-8-13-30-21(18)15-20(27-22)23(29)25-9-5-12-28-10-3-2-4-11-28/h6-8,13-15H,2-5,9-12H2,1H3,(H,25,29)(H,26,27).

What are the key properties of 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide?

4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 53079749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).