N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide

C35H41F2N3O4 — CID 123582661

About N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide

N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide (PubChem CID 123582661) has the molecular formula C35H41F2N3O4 and a molecular weight of 605.73 g/mol. Its IUPAC name is N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
• PubChem CID: 123582661
• Molecular Formula: C35H41F2N3O4
• Molecular Weight: 605.73 g/mol
• Exact Mass: 605.31
• IUPAC Name: N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
• SMILES: CCC(=CC(F)=CCCOc1ccc(C(C)=O)cn1)CC(C)(C)C(C)NC(=O)c1ccc(OC(C)c2cccc(F)c2)nc1
• InChI: InChI=1S/C35H41F2N3O4/c1-7-26(18-30(36)12-9-17-43-32-15-13-28(21-38-32)23(2)41)20-35(5,6)25(4)40-34(42)29-14-16-33(39-22-29)44-24(3)27-10-8-11-31(37)19-27/h8,10-16,18-19,21-22,24-25H,7,9,17,20H2,1-6H3,(H,40,42)
• InChIKey: XOIXQUHMCHIEJV-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 90.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.73
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?

The IUPAC name of N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide (CID 123582661) is N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide.

What is the SMILES notation for N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?

The canonical SMILES for N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide is CCC(=CC(F)=CCCOc1ccc(C(C)=O)cn1)CC(C)(C)C(C)NC(=O)c1ccc(OC(C)c2cccc(F)c2)nc1.

What is the InChIKey of N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?

The InChIKey is XOIXQUHMCHIEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41F2N3O4/c1-7-26(18-30(36)12-9-17-43-32-15-13-28(21-38-32)23(2)41)20-35(5,6)25(4)40-34(42)29-14-16-33(39-22-29)44-24(3)27-10-8-11-31(37)19-27/h8,10-16,18-19,21-22,24-25H,7,9,17,20H2,1-6H3,(H,40,42).

What are the key properties of N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?

N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide has a molecular weight of 605.73 g/mol, XLogP of 8.15, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[10-[(5-acetyl-2-pyridinyl)oxy]-5-ethyl-7-fluoro-3,3-dimethyldeca-5,7-dien-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 123582661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).