2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide

C79H94F16N12O5 — CID 161047900

About 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide

2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 161047900) has the molecular formula C79H94F16N12O5 and a molecular weight of 1595.67 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 161047900
• Molecular Formula: C79H94F16N12O5
• Molecular Weight: 1595.67 g/mol
• Exact Mass: 1594.72
• IUPAC Name: 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(CCN2CCc3ccc(CCC(F)(F)F)nc3CC2)CC1)c1cccnc1C(F)F.O=C(NC1CCC(CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1)c1cccnc1C(F)F.O=C(NC1CCC(F)(CCN2CCc3ccc(CCC(F)(F)F)nc3CC2)CC1)c1cccnc1C(F)F
• InChI: InChI=1S/C27H32F6N4O.C27H33F5N4O.C25H29F5N4O3/c28-24(29)23-21(2-1-14-34-23)25(38)36-20-5-10-26(30,11-6-20)13-17-37-15-8-18-3-4-19(7-12-27(31,32)33)35-22(18)9-16-37;28-25(29)24-22(2-1-14-33-24)26(37)35-20-6-3-18(4-7-20)10-15-36-16-11-19-5-8-21(9-13-27(30,31)32)34-23(19)12-17-36;26-23(27)22-19(2-1-10-31-22)24(35)32-17-4-5-18(36-14-17)8-12-34-11-7-16-3-6-21(33-20(16)9-13-34)37-15-25(28,29)30/h1-4,14,20,24H,5-13,15-17H2,(H,36,38);1-2,5,8,14,18,20,25H,3-4,6-7,9-13,15-17H2,(H,35,37);1-3,6,10,17-18,23H,4-5,7-9,11-15H2,(H,32,35)
• InChIKey: UBSXYEIYVCPHLO-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 192.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.67
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide (CID 161047900) is 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(CCN2CCc3ccc(CCC(F)(F)F)nc3CC2)CC1)c1cccnc1C(F)F.O=C(NC1CCC(CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1)c1cccnc1C(F)F.O=C(NC1CCC(F)(CCN2CCc3ccc(CCC(F)(F)F)nc3CC2)CC1)c1cccnc1C(F)F.

What is the InChIKey of 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is UBSXYEIYVCPHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F6N4O.C27H33F5N4O.C25H29F5N4O3/c28-24(29)23-21(2-1-14-34-23)25(38)36-20-5-10-26(30,11-6-20)13-17-37-15-8-18-3-4-19(7-12-27(31,32)33)35-22(18)9-16-37;28-25(29)24-22(2-1-14-33-24)26(37)35-20-6-3-18(4-7-20)10-15-36-16-11-19-5-8-21(9-13-27(30,31)32)34-23(19)12-17-36;26-23(27)22-19(2-1-10-31-22)24(35)32-17-4-5-18(36-14-17)8-12-34-11-7-16-3-6-21(33-20(16)9-13-34)37-15-25(28,29)30/h1-4,14,20,24H,5-13,15-17H2,(H,36,38);1-2,5,8,14,18,20,25H,3-4,6-7,9-13,15-17H2,(H,35,37);1-3,6,10,17-18,23H,4-5,7-9,11-15H2,(H,32,35).

What are the key properties of 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide?

2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 1595.67 g/mol, XLogP of 15.59, 24 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-N-[4-fluoro-4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide;2-(difluoromethyl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 161047900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).