(E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide

C152H190F14N18O16 — CID 167631072

IUPAC(E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)c(C)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)cn1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C)(F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.COc1cnc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(C(C)(F)F)CC1
InChIInChI=1S/C20H23F2N3O2.C20H26F2N2O2.C20H24F2N2O2.2C19H24F2N2O2.C18H23F2N3O2.2C18H23FN2O2/c1-20(21,22)16-9-6-14(7-10-16)5-8-15-12-18(24-13-17(15)27-2)25-19(26)4-3-11-23;1-5-18(25)24-17-12-15(19(26-4)13(2)23-17)9-6-14-7-10-16(11-8-14)20(3,21)22;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;1-4-18(24)23-17-11-14(16(25-3)12-22-17)8-5-13-6-9-15(10-7-13)19(2,20)21;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;1-4-17(22)21-16-11-14(15(23-3)12-20-16)6-5-13-7-9-18(2,19)10-8-13;1-4-16(22)21-15-11-14(17(23-3)20-12-15)6-5-13-7-9-18(2,19)10-8-13/h3-5,8,12-14,16H,6-7,9-10H2,1-2H3,(H,24,25,26);5-6,9,12,14,16H,1,7-8,10-11H2,2-4H3,(H,23,24,25);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,22,23,24);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);4-6,11-13H,1,7-10H2,2-3H3,(H,20,21,22);4-6,11-13H,1,7-10H2,2-3H3,(H,21,22)/b4-3+,8-5+;2*9-6+;3*8-5+;2*6-5+
InChIKeyNUOKIFNLDPRLIS-WMRJPPBVSA-N
MW2791.27 g/mol
LogP35.86
Rot. Bonds45

About (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide

(E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide (PubChem CID 167631072) has the molecular formula C152H190F14N18O16 and a molecular weight of 2791.27 g/mol. Its IUPAC name is (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
PubChem CID167631072
Molecular FormulaC152H190F14N18O16
Molecular Weight2791.27 g/mol
Exact Mass2789.44
IUPAC Name(E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)c(C)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)cn1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C)(F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.COc1cnc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(C(C)(F)F)CC1
InChIInChI=1S/C20H23F2N3O2.C20H26F2N2O2.C20H24F2N2O2.2C19H24F2N2O2.C18H23F2N3O2.2C18H23FN2O2/c1-20(21,22)16-9-6-14(7-10-16)5-8-15-12-18(24-13-17(15)27-2)25-19(26)4-3-11-23;1-5-18(25)24-17-12-15(19(26-4)13(2)23-17)9-6-14-7-10-16(11-8-14)20(3,21)22;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;1-4-18(24)23-17-11-14(16(25-3)12-22-17)8-5-13-6-9-15(10-7-13)19(2,20)21;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;1-4-17(22)21-16-11-14(15(23-3)12-20-16)6-5-13-7-9-18(2,19)10-8-13;1-4-16(22)21-15-11-14(17(23-3)20-12-15)6-5-13-7-9-18(2,19)10-8-13/h3-5,8,12-14,16H,6-7,9-10H2,1-2H3,(H,24,25,26);5-6,9,12,14,16H,1,7-8,10-11H2,2-4H3,(H,23,24,25);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,22,23,24);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);4-6,11-13H,1,7-10H2,2-3H3,(H,20,21,22);4-6,11-13H,1,7-10H2,2-3H3,(H,21,22)/b4-3+,8-5+;2*9-6+;3*8-5+;2*6-5+
InChIKeyNUOKIFNLDPRLIS-WMRJPPBVSA-N
XLogP35.86
TPSA446.44 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.27
LogP ≤ 535.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide (CID 167631072) is (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)c(C)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)cn1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(C)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C)(F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(C)(F)F)CC2)c1.COc1cnc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(C(C)(F)F)CC1.
What is the InChIKey of (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The InChIKey is NUOKIFNLDPRLIS-WMRJPPBVSA-N. The full InChI is InChI=1S/C20H23F2N3O2.C20H26F2N2O2.C20H24F2N2O2.2C19H24F2N2O2.C18H23F2N3O2.2C18H23FN2O2/c1-20(21,22)16-9-6-14(7-10-16)5-8-15-12-18(24-13-17(15)27-2)25-19(26)4-3-11-23;1-5-18(25)24-17-12-15(19(26-4)13(2)23-17)9-6-14-7-10-16(11-8-14)20(3,21)22;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;1-4-18(24)23-17-11-14(16(25-3)12-22-17)8-5-13-6-9-15(10-7-13)19(2,20)21;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;1-4-17(22)21-16-11-14(15(23-3)12-20-16)6-5-13-7-9-18(2,19)10-8-13;1-4-16(22)21-15-11-14(17(23-3)20-12-15)6-5-13-7-9-18(2,19)10-8-13/h3-5,8,12-14,16H,6-7,9-10H2,1-2H3,(H,24,25,26);5-6,9,12,14,16H,1,7-8,10-11H2,2-4H3,(H,23,24,25);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,22,23,24);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);4-6,11-13H,1,7-10H2,2-3H3,(H,20,21,22);4-6,11-13H,1,7-10H2,2-3H3,(H,21,22)/b4-3+,8-5+;2*9-6+;3*8-5+;2*6-5+.
What are the key properties of (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
(E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide has a molecular weight of 2791.27 g/mol, XLogP of 35.86, 45 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-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-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 167631072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).