N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C33H36N4O5 — CID 123791285

About N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 123791285) has the molecular formula C33H36N4O5 and a molecular weight of 568.67 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
• PubChem CID: 123791285
• Molecular Formula: C33H36N4O5
• Molecular Weight: 568.67 g/mol
• Exact Mass: 568.27
• IUPAC Name: N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
• SMILES: CCC(CCCNC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)nc1)Oc1ccc(C#N)cc1
• InChI: InChI=1S/C33H36N4O5/c1-3-27(42-29-11-6-23(21-34)7-12-29)5-4-18-35-32(39)26-10-15-30(36-22-26)33(40)37-19-16-25(17-20-37)31(38)24-8-13-28(41-2)14-9-24/h6-15,22,25,27H,3-5,16-20H2,1-2H3,(H,35,39)
• InChIKey: PZZQSAFXQXXJNS-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 121.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.67
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 123791285) is N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is CCC(CCCNC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)nc1)Oc1ccc(C#N)cc1.

What is the InChIKey of N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?

The InChIKey is PZZQSAFXQXXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O5/c1-3-27(42-29-11-6-23(21-34)7-12-29)5-4-18-35-32(39)26-10-15-30(36-22-26)33(40)37-19-16-25(17-20-37)31(38)24-8-13-28(41-2)14-9-24/h6-15,22,25,27H,3-5,16-20H2,1-2H3,(H,35,39).

What are the key properties of N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?

N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 568.67 g/mol, XLogP of 5.06, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 123791285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).