N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C80H108F4N12O8 — CID 162077704

IUPACN-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCCn1c(C(=O)NC2CCC(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)cccc1=O.Cc1cnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cc1ncccc1C(=O)NC1CCC(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1
InChIInChI=1S/C27H36F2N4O3.C27H38N4O3.C26H34F2N4O2/c1-2-33-23(4-3-5-26(33)34)27(35)30-21-9-6-19(7-10-21)12-15-32-16-13-20-8-11-25(36-18-24(28)29)31-22(20)14-17-32;1-19-18-28-27(33-19)17-25(32)29-22-8-5-20(6-9-22)11-14-31-15-12-21-7-10-26(30-24(21)13-16-31)34-23-3-2-4-23;1-18-22(3-2-13-29-18)26(33)30-21-7-4-19(5-8-21)10-14-32-15-11-20-6-9-25(34-17-24(27)28)31-23(20)12-16-32/h3-5,8,11,19,21,24H,2,6-7,9-10,12-18H2,1H3,(H,30,35);7,10,18,20,22-23H,2-6,8-9,11-17H2,1H3,(H,29,32);2-3,6,9,13,19,21,24H,4-5,7-8,10-12,14-17H2,1H3,(H,30,33)
InChIKeyZBXQBOZEUUCUOY-UHFFFAOYSA-N
MW1441.81 g/mol
LogP11.91
Rot. Bonds25

About N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 162077704) has the molecular formula C80H108F4N12O8 and a molecular weight of 1441.81 g/mol. Its IUPAC name is N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID162077704
Molecular FormulaC80H108F4N12O8
Molecular Weight1441.81 g/mol
Exact Mass1440.83
IUPAC NameN-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCCn1c(C(=O)NC2CCC(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)cccc1=O.Cc1cnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cc1ncccc1C(=O)NC1CCC(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1
InChIInChI=1S/C27H36F2N4O3.C27H38N4O3.C26H34F2N4O2/c1-2-33-23(4-3-5-26(33)34)27(35)30-21-9-6-19(7-10-21)12-15-32-16-13-20-8-11-25(36-18-24(28)29)31-22(20)14-17-32;1-19-18-28-27(33-19)17-25(32)29-22-8-5-20(6-9-22)11-14-31-15-12-21-7-10-26(30-24(21)13-16-31)34-23-3-2-4-23;1-18-22(3-2-13-29-18)26(33)30-21-7-4-19(5-8-21)10-14-32-15-11-20-6-9-25(34-17-24(27)28)31-23(20)12-16-32/h3-5,8,11,19,21,24H,2,6-7,9-10,12-18H2,1H3,(H,30,35);7,10,18,20,22-23H,2-6,8-9,11-17H2,1H3,(H,29,32);2-3,6,9,13,19,21,24H,4-5,7-8,10-12,14-17H2,1H3,(H,30,33)
InChIKeyZBXQBOZEUUCUOY-UHFFFAOYSA-N
XLogP11.91
TPSA224.30 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001441.81
LogP ≤ 511.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 162077704) is N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is CCn1c(C(=O)NC2CCC(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)cccc1=O.Cc1cnc(CC(=O)NC2CCC(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cc1ncccc1C(=O)NC1CCC(CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1.
What is the InChIKey of N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ZBXQBOZEUUCUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2N4O3.C27H38N4O3.C26H34F2N4O2/c1-2-33-23(4-3-5-26(33)34)27(35)30-21-9-6-19(7-10-21)12-15-32-16-13-20-8-11-25(36-18-24(28)29)31-22(20)14-17-32;1-19-18-28-27(33-19)17-25(32)29-22-8-5-20(6-9-22)11-14-31-15-12-21-7-10-26(30-24(21)13-16-31)34-23-3-2-4-23;1-18-22(3-2-13-29-18)26(33)30-21-7-4-19(5-8-21)10-14-32-15-11-20-6-9-25(34-17-24(27)28)31-23(20)12-16-32/h3-5,8,11,19,21,24H,2,6-7,9-10,12-18H2,1H3,(H,30,35);7,10,18,20,22-23H,2-6,8-9,11-17H2,1H3,(H,29,32);2-3,6,9,13,19,21,24H,4-5,7-8,10-12,14-17H2,1H3,(H,30,33).
What are the key properties of N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 1441.81 g/mol, XLogP of 11.91, 25 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide;N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 162077704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).