N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide

C103H123F10N11O10 — CID 167567531

IUPACN-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
SMILESC#Cc1nc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)cc1NC(=O)C=C.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nc1-c1ccccc1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1
InChIInChI=1S/C25H28F2N2O2.C21H24F2N2O2.C20H24F2N2O2.C19H24F2N2O2.C18H23F2N3O2/c1-4-22(30)28-21-16-19(13-10-17-11-14-20(15-12-17)25(2,26)27)24(31-3)29-23(21)18-8-6-5-7-9-18;1-5-17-18(24-19(26)6-2)13-15(20(25-17)27-4)10-7-14-8-11-16(12-9-14)21(3,22)23;1-4-5-18(25)24-17-12-15(19(26-3)23-13-17)9-6-14-7-10-16(11-8-14)20(2,21)22;1-4-17(24)23-16-11-14(18(25-3)22-12-16)8-5-13-6-9-15(10-7-13)19(2,20)21;1-4-16(24)21-15-11-13(17(25-3)23-22-15)8-5-12-6-9-14(10-7-12)18(2,19)20/h4-10,13,16-17,20H,1,11-12,14-15H2,2-3H3,(H,28,30);1,6-7,10,13-14,16H,2,8-9,11-12H2,3-4H3,(H,24,26);6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,24,25);4-5,8,11-13,15H,1,6-7,9-10H2,2-3H3,(H,23,24);4-5,8,11-12,14H,1,6-7,9-10H2,2-3H3,(H,21,22,24)/b13-10+;10-7+;9-6+;2*8-5+
InChIKeyFMBKLXJFYVPKDG-UCHKFTBVSA-N
MW1865.16 g/mol
LogP24.33
Rot. Bonds30

About N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide

N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide (PubChem CID 167567531) has the molecular formula C103H123F10N11O10 and a molecular weight of 1865.16 g/mol. Its IUPAC name is N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
PubChem CID167567531
Molecular FormulaC103H123F10N11O10
Molecular Weight1865.16 g/mol
Exact Mass1863.93
IUPAC NameN-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
SMILESC#Cc1nc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)cc1NC(=O)C=C.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nc1-c1ccccc1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1
InChIInChI=1S/C25H28F2N2O2.C21H24F2N2O2.C20H24F2N2O2.C19H24F2N2O2.C18H23F2N3O2/c1-4-22(30)28-21-16-19(13-10-17-11-14-20(15-12-17)25(2,26)27)24(31-3)29-23(21)18-8-6-5-7-9-18;1-5-17-18(24-19(26)6-2)13-15(20(25-17)27-4)10-7-14-8-11-16(12-9-14)21(3,22)23;1-4-5-18(25)24-17-12-15(19(26-3)23-13-17)9-6-14-7-10-16(11-8-14)20(2,21)22;1-4-17(24)23-16-11-14(18(25-3)22-12-16)8-5-13-6-9-15(10-7-13)19(2,20)21;1-4-16(24)21-15-11-13(17(25-3)23-22-15)8-5-12-6-9-14(10-7-12)18(2,19)20/h4-10,13,16-17,20H,1,11-12,14-15H2,2-3H3,(H,28,30);1,6-7,10,13-14,16H,2,8-9,11-12H2,3-4H3,(H,24,26);6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,24,25);4-5,8,11-13,15H,1,6-7,9-10H2,2-3H3,(H,23,24);4-5,8,11-12,14H,1,6-7,9-10H2,2-3H3,(H,21,22,24)/b13-10+;10-7+;9-6+;2*8-5+
InChIKeyFMBKLXJFYVPKDG-UCHKFTBVSA-N
XLogP24.33
TPSA268.99 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001865.16
LogP ≤ 524.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide (CID 167567531) is N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide is C#Cc1nc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)cc1NC(=O)C=C.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nc1-c1ccccc1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.
What is the InChIKey of N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The InChIKey is FMBKLXJFYVPKDG-UCHKFTBVSA-N. The full InChI is InChI=1S/C25H28F2N2O2.C21H24F2N2O2.C20H24F2N2O2.C19H24F2N2O2.C18H23F2N3O2/c1-4-22(30)28-21-16-19(13-10-17-11-14-20(15-12-17)25(2,26)27)24(31-3)29-23(21)18-8-6-5-7-9-18;1-5-17-18(24-19(26)6-2)13-15(20(25-17)27-4)10-7-14-8-11-16(12-9-14)21(3,22)23;1-4-5-18(25)24-17-12-15(19(26-3)23-13-17)9-6-14-7-10-16(11-8-14)20(2,21)22;1-4-17(24)23-16-11-14(18(25-3)22-12-16)8-5-13-6-9-15(10-7-13)19(2,20)21;1-4-16(24)21-15-11-13(17(25-3)23-22-15)8-5-12-6-9-14(10-7-12)18(2,19)20/h4-10,13,16-17,20H,1,11-12,14-15H2,2-3H3,(H,28,30);1,6-7,10,13-14,16H,2,8-9,11-12H2,3-4H3,(H,24,26);6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,24,25);4-5,8,11-13,15H,1,6-7,9-10H2,2-3H3,(H,23,24);4-5,8,11-12,14H,1,6-7,9-10H2,2-3H3,(H,21,22,24)/b13-10+;10-7+;9-6+;2*8-5+.
What are the key properties of N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide has a molecular weight of 1865.16 g/mol, XLogP of 24.33, 30 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-2-ethynyl-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-2-phenyl-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 167567531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).