(E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide

C90H102F14N12O10 — CID 167550756

IUPAC(E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(F)(F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.COc1cnc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O2.C19H21F3N2O2.C18H21F3N2O2.C17H20F3N3O2.C17H20F2N2O2/c1-27-16-12-24-17(25-18(26)3-2-10-23)11-14(16)7-4-13-5-8-15(9-6-13)19(20,21)22;1-3-4-17(25)24-16-11-14(18(26-2)23-12-16)8-5-13-6-9-15(10-7-13)19(20,21)22;1-3-16(24)23-15-10-13(17(25-2)22-11-15)7-4-12-5-8-14(9-6-12)18(19,20)21;1-3-15(24)21-14-10-12(16(25-2)23-22-14)7-4-11-5-8-13(9-6-11)17(18,19)20;1-3-15(22)21-14-10-13(16(23-2)20-11-14)5-4-12-6-8-17(18,19)9-7-12/h2-4,7,11-13,15H,5-6,8-9H2,1H3,(H,24,25,26);5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,25);3-4,7,10-12,14H,1,5-6,8-9H2,2H3,(H,23,24);3-4,7,10-11,13H,1,5-6,8-9H2,2H3,(H,21,22,24);3-5,10-12H,1,6-9H2,2H3,(H,21,22)/b3-2+,7-4+;8-5+;2*7-4+;5-4+
InChIKeyCJGVNMBDLVBFIV-OYKHFDEZSA-N
MW1777.85 g/mol
LogP21.57
Rot. Bonds24

About (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide

(E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide (PubChem CID 167550756) has the molecular formula C90H102F14N12O10 and a molecular weight of 1777.85 g/mol. Its IUPAC name is (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
PubChem CID167550756
Molecular FormulaC90H102F14N12O10
Molecular Weight1777.85 g/mol
Exact Mass1776.76
IUPAC Name(E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(F)(F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.COc1cnc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O2.C19H21F3N2O2.C18H21F3N2O2.C17H20F3N3O2.C17H20F2N2O2/c1-27-16-12-24-17(25-18(26)3-2-10-23)11-14(16)7-4-13-5-8-15(9-6-13)19(20,21)22;1-3-4-17(25)24-16-11-14(18(26-2)23-12-16)8-5-13-6-9-15(10-7-13)19(20,21)22;1-3-16(24)23-15-10-13(17(25-2)22-11-15)7-4-12-5-8-14(9-6-12)18(19,20)21;1-3-15(24)21-14-10-12(16(25-2)23-22-14)7-4-11-5-8-13(9-6-11)17(18,19)20;1-3-15(22)21-14-10-13(16(23-2)20-11-14)5-4-12-6-8-17(18,19)9-7-12/h2-4,7,11-13,15H,5-6,8-9H2,1H3,(H,24,25,26);5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,25);3-4,7,10-12,14H,1,5-6,8-9H2,2H3,(H,23,24);3-4,7,10-11,13H,1,5-6,8-9H2,2H3,(H,21,22,24);3-5,10-12H,1,6-9H2,2H3,(H,21,22)/b3-2+,7-4+;8-5+;2*7-4+;5-4+
InChIKeyCJGVNMBDLVBFIV-OYKHFDEZSA-N
XLogP21.57
TPSA292.78 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001777.85
LogP ≤ 521.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-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-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide (CID 167550756) is (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)nn1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(F)(F)CC2)c1.CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.COc1cnc(NC(=O)/C=C/C#N)cc1/C=C/C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is CJGVNMBDLVBFIV-OYKHFDEZSA-N. The full InChI is InChI=1S/C19H20F3N3O2.C19H21F3N2O2.C18H21F3N2O2.C17H20F3N3O2.C17H20F2N2O2/c1-27-16-12-24-17(25-18(26)3-2-10-23)11-14(16)7-4-13-5-8-15(9-6-13)19(20,21)22;1-3-4-17(25)24-16-11-14(18(26-2)23-12-16)8-5-13-6-9-15(10-7-13)19(20,21)22;1-3-16(24)23-15-10-13(17(25-2)22-11-15)7-4-12-5-8-14(9-6-12)18(19,20)21;1-3-15(24)21-14-10-12(16(25-2)23-22-14)7-4-11-5-8-13(9-6-11)17(18,19)20;1-3-15(22)21-14-10-13(16(23-2)20-11-14)5-4-12-6-8-17(18,19)9-7-12/h2-4,7,11-13,15H,5-6,8-9H2,1H3,(H,24,25,26);5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,24,25);3-4,7,10-12,14H,1,5-6,8-9H2,2H3,(H,23,24);3-4,7,10-11,13H,1,5-6,8-9H2,2H3,(H,21,22,24);3-5,10-12H,1,6-9H2,2H3,(H,21,22)/b3-2+,7-4+;8-5+;2*7-4+;5-4+.
What are the key properties of (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
(E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 1777.85 g/mol, XLogP of 21.57, 24 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyano-N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazin-3-yl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]but-2-ynamide;N-[6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 167550756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).