(E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide

C90H101F9N10O10 — CID 167686023

IUPAC(E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide
SMILESC=C(C(=O)Nc1cnc(OC)c(/C=C/C2CCC(F)(F)CC2)c1)c1ccccc1.C=CC(=O)Nc1ccc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CC(F)(F)C2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/CC(C)C)c1.COc1ncc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(F)(F)CC1
InChIInChI=1S/C23H24F2N2O2.C19H22F3NO2.C18H19F2N3O2.C15H16F2N2O2.C15H20N2O2/c1-16(18-6-4-3-5-7-18)21(28)27-20-14-19(22(29-2)26-15-20)9-8-17-10-12-23(24,25)13-11-17;1-3-18(24)23-16-10-11-17(25-2)14(12-16)7-4-13-5-8-15(9-6-13)19(20,21)22;1-25-17-14(5-4-13-6-8-18(19,20)9-7-13)11-15(12-22-17)23-16(24)3-2-10-21;1-3-13(20)19-12-6-11(14(21-2)18-9-12)5-4-10-7-15(16,17)8-10;1-5-14(18)17-13-9-12(8-6-7-11(2)3)15(19-4)16-10-13/h3-9,14-15,17H,1,10-13H2,2H3,(H,27,28);3-4,7,10-13,15H,1,5-6,8-9H2,2H3,(H,23,24);2-5,11-13H,6-9H2,1H3,(H,23,24);3-6,9-10H,1,7-8H2,2H3,(H,19,20);5-6,8-11H,1,7H2,2-4H3,(H,17,18)/b9-8+;7-4+;3-2+,5-4+;5-4+;8-6+
InChIKeyWFRSDCAHDFHWBM-HOOMVZQPSA-N
MW1653.84 g/mol
LogP21.28
Rot. Bonds27

About (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide

(E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide (PubChem CID 167686023) has the molecular formula C90H101F9N10O10 and a molecular weight of 1653.84 g/mol. Its IUPAC name is (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide
PubChem CID167686023
Molecular FormulaC90H101F9N10O10
Molecular Weight1653.84 g/mol
Exact Mass1652.76
IUPAC Name(E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide
SMILESC=C(C(=O)Nc1cnc(OC)c(/C=C/C2CCC(F)(F)CC2)c1)c1ccccc1.C=CC(=O)Nc1ccc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CC(F)(F)C2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/CC(C)C)c1.COc1ncc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(F)(F)CC1
InChIInChI=1S/C23H24F2N2O2.C19H22F3NO2.C18H19F2N3O2.C15H16F2N2O2.C15H20N2O2/c1-16(18-6-4-3-5-7-18)21(28)27-20-14-19(22(29-2)26-15-20)9-8-17-10-12-23(24,25)13-11-17;1-3-18(24)23-16-10-11-17(25-2)14(12-16)7-4-13-5-8-15(9-6-13)19(20,21)22;1-25-17-14(5-4-13-6-8-18(19,20)9-7-13)11-15(12-22-17)23-16(24)3-2-10-21;1-3-13(20)19-12-6-11(14(21-2)18-9-12)5-4-10-7-15(16,17)8-10;1-5-14(18)17-13-9-12(8-6-7-11(2)3)15(19-4)16-10-13/h3-9,14-15,17H,1,10-13H2,2H3,(H,27,28);3-4,7,10-13,15H,1,5-6,8-9H2,2H3,(H,23,24);2-5,11-13H,6-9H2,1H3,(H,23,24);3-6,9-10H,1,7-8H2,2H3,(H,19,20);5-6,8-11H,1,7H2,2-4H3,(H,17,18)/b9-8+;7-4+;3-2+,5-4+;5-4+;8-6+
InChIKeyWFRSDCAHDFHWBM-HOOMVZQPSA-N
XLogP21.28
TPSA267.00 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.84
LogP ≤ 521.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide (CID 167686023) is (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide is C=C(C(=O)Nc1cnc(OC)c(/C=C/C2CCC(F)(F)CC2)c1)c1ccccc1.C=CC(=O)Nc1ccc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CC(F)(F)C2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/CC(C)C)c1.COc1ncc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(F)(F)CC1.
What is the InChIKey of (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide?
The InChIKey is WFRSDCAHDFHWBM-HOOMVZQPSA-N. The full InChI is InChI=1S/C23H24F2N2O2.C19H22F3NO2.C18H19F2N3O2.C15H16F2N2O2.C15H20N2O2/c1-16(18-6-4-3-5-7-18)21(28)27-20-14-19(22(29-2)26-15-20)9-8-17-10-12-23(24,25)13-11-17;1-3-18(24)23-16-10-11-17(25-2)14(12-16)7-4-13-5-8-15(9-6-13)19(20,21)22;1-25-17-14(5-4-13-6-8-18(19,20)9-7-13)11-15(12-22-17)23-16(24)3-2-10-21;1-3-13(20)19-12-6-11(14(21-2)18-9-12)5-4-10-7-15(16,17)8-10;1-5-14(18)17-13-9-12(8-6-7-11(2)3)15(19-4)16-10-13/h3-9,14-15,17H,1,10-13H2,2H3,(H,27,28);3-4,7,10-13,15H,1,5-6,8-9H2,2H3,(H,23,24);2-5,11-13H,6-9H2,1H3,(H,23,24);3-6,9-10H,1,7-8H2,2H3,(H,19,20);5-6,8-11H,1,7H2,2-4H3,(H,17,18)/b9-8+;7-4+;3-2+,5-4+;5-4+;8-6+.
What are the key properties of (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide?
(E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide has a molecular weight of 1653.84 g/mol, XLogP of 21.28, 27 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyano-N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(3,3-difluorocyclobutyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]-2-phenylprop-2-enamide;N-[6-methoxy-5-[(E)-4-methylpent-1-enyl]-3-pyridinyl]prop-2-enamide;N-[4-methoxy-3-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167686023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).