2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane

C68H69F9N8O6 — CID 145262591

About 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane

2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane (PubChem CID 145262591) has the molecular formula C68H69F9N8O6 and a molecular weight of 1265.33 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane.

Molecular Properties

• Compound Name: 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane
• PubChem CID: 145262591
• Molecular Formula: C68H69F9N8O6
• Molecular Weight: 1265.33 g/mol
• Exact Mass: 1264.52
• IUPAC Name: 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane
• SMILES: CC.Nc1ccc(C2CC2C(=O)NCCCOc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(C(F)(F)F)c2)cn1.Nc1ccc(C2CC2C(=O)NCCOc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2-c2ccc(F)cc2F)cn1
• InChI: InChI=1S/C35H32F4N4O3.C31H31F5N4O3.C2H6/c36-25-7-8-26(30(37)18-25)28-17-23(21-1-3-22(4-2-21)34(45)43-14-11-35(38,39)12-15-43)5-9-31(28)46-16-13-41-33(44)29-19-27(29)24-6-10-32(40)42-20-24;32-30(33)8-11-40(12-9-30)29(42)20-4-2-19(3-5-20)22-14-23(31(34,35)36)16-24(15-22)43-13-1-10-38-28(41)26-17-25(26)21-6-7-27(37)39-18-21;1-2/h1-10,17-18,20,27,29H,11-16,19H2,(H2,40,42)(H,41,44);2-7,14-16,18,25-26H,1,8-13,17H2,(H2,37,39)(H,38,41);1-2H3
• InChIKey: JRYFVSMJCCROMI-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 195.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.33
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane?

The IUPAC name of 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane (CID 145262591) is 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane.

What is the SMILES notation for 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane?

The canonical SMILES for 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane is CC.Nc1ccc(C2CC2C(=O)NCCCOc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(C(F)(F)F)c2)cn1.Nc1ccc(C2CC2C(=O)NCCOc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2-c2ccc(F)cc2F)cn1.

What is the InChIKey of 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane?

The InChIKey is JRYFVSMJCCROMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F4N4O3.C31H31F5N4O3.C2H6/c36-25-7-8-26(30(37)18-25)28-17-23(21-1-3-22(4-2-21)34(45)43-14-11-35(38,39)12-15-43)5-9-31(28)46-16-13-41-33(44)29-19-27(29)24-6-10-32(40)42-20-24;32-30(33)8-11-40(12-9-30)29(42)20-4-2-19(3-5-20)22-14-23(31(34,35)36)16-24(15-22)43-13-1-10-38-28(41)26-17-25(26)21-6-7-27(37)39-18-21;1-2/h1-10,17-18,20,27,29H,11-16,19H2,(H2,40,42)(H,41,44);2-7,14-16,18,25-26H,1,8-13,17H2,(H2,37,39)(H,38,41);1-2H3.

What are the key properties of 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane?

2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane has a molecular weight of 1265.33 g/mol, XLogP of 13.38, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-3-pyridinyl)-N-[2-[2-(2,4-difluorophenyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]phenoxy]ethyl]cyclopropane-1-carboxamide;2-(6-amino-3-pyridinyl)-N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 145262591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).