N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide

C103H125F13N12O15 — CID 167703743

IUPACN-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)c(C)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)cn1.C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(COC2CC3(CC3)C2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H23F3N2O2.C18H21F3N2O2.C17H21F3N2O3.C17H20F2N2O2.C16H20F2N2O3.C16H20N2O3/c1-4-17(25)24-16-11-14(18(26-3)12(2)23-16)8-5-13-6-9-15(10-7-13)19(20,21)22;1-3-17(24)23-16-10-13(15(25-2)11-22-16)7-4-12-5-8-14(9-6-12)18(19,20)21;1-3-15(23)22-13-8-11(16(24-2)21-9-13)10-25-14-6-4-12(5-7-14)17(18,19)20;1-3-16(22)21-15-10-13(14(23-2)11-20-15)5-4-12-6-8-17(18,19)9-7-12;1-3-14(21)20-12-8-11(15(22-2)19-9-12)10-23-13-4-6-16(17,18)7-5-13;1-3-14(19)18-12-6-11(15(20-2)17-9-12)10-21-13-7-16(8-13)4-5-16/h4-5,8,11,13,15H,1,6-7,9-10H2,2-3H3,(H,23,24,25);3-4,7,10-12,14H,1,5-6,8-9H2,2H3,(H,22,23,24);3,8-9,12,14H,1,4-7,10H2,2H3,(H,22,23);3-5,10-12H,1,6-9H2,2H3,(H,20,21,22);3,8-9,13H,1,4-7,10H2,2H3,(H,20,21);3,6,9,13H,1,4-5,7-8,10H2,2H3,(H,18,19)/b8-5+;7-4+;;5-4+;;
InChIKeyYUCSGLJEEFPVPK-GOMWCJQYSA-N
MW2018.18 g/mol
LogP23.39
Rot. Bonds33

About N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide

N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide (PubChem CID 167703743) has the molecular formula C103H125F13N12O15 and a molecular weight of 2018.18 g/mol. Its IUPAC name is N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide
PubChem CID167703743
Molecular FormulaC103H125F13N12O15
Molecular Weight2018.18 g/mol
Exact Mass2016.92
IUPAC NameN-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)c(C)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)cn1.C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(COC2CC3(CC3)C2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H23F3N2O2.C18H21F3N2O2.C17H21F3N2O3.C17H20F2N2O2.C16H20F2N2O3.C16H20N2O3/c1-4-17(25)24-16-11-14(18(26-3)12(2)23-16)8-5-13-6-9-15(10-7-13)19(20,21)22;1-3-17(24)23-16-10-13(15(25-2)11-22-16)7-4-12-5-8-14(9-6-12)18(19,20)21;1-3-15(23)22-13-8-11(16(24-2)21-9-13)10-25-14-6-4-12(5-7-14)17(18,19)20;1-3-16(22)21-15-10-13(14(23-2)11-20-15)5-4-12-6-8-17(18,19)9-7-12;1-3-14(21)20-12-8-11(15(22-2)19-9-12)10-23-13-4-6-16(17,18)7-5-13;1-3-14(19)18-12-6-11(15(20-2)17-9-12)10-21-13-7-16(8-13)4-5-16/h4-5,8,11,13,15H,1,6-7,9-10H2,2-3H3,(H,23,24,25);3-4,7,10-12,14H,1,5-6,8-9H2,2H3,(H,22,23,24);3,8-9,12,14H,1,4-7,10H2,2H3,(H,22,23);3-5,10-12H,1,6-9H2,2H3,(H,20,21,22);3,8-9,13H,1,4-7,10H2,2H3,(H,20,21);3,6,9,13H,1,4-5,7-8,10H2,2H3,(H,18,19)/b8-5+;7-4+;;5-4+;;
InChIKeyYUCSGLJEEFPVPK-GOMWCJQYSA-N
XLogP23.39
TPSA335.01 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002018.18
LogP ≤ 523.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide (CID 167703743) is N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)c(C)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C(F)(F)F)CC2)c(OC)cn1.C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(COC2CC3(CC3)C2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C(F)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(F)(F)CC2)c1.
What is the InChIKey of N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is YUCSGLJEEFPVPK-GOMWCJQYSA-N. The full InChI is InChI=1S/C19H23F3N2O2.C18H21F3N2O2.C17H21F3N2O3.C17H20F2N2O2.C16H20F2N2O3.C16H20N2O3/c1-4-17(25)24-16-11-14(18(26-3)12(2)23-16)8-5-13-6-9-15(10-7-13)19(20,21)22;1-3-17(24)23-16-10-13(15(25-2)11-22-16)7-4-12-5-8-14(9-6-12)18(19,20)21;1-3-15(23)22-13-8-11(16(24-2)21-9-13)10-25-14-6-4-12(5-7-14)17(18,19)20;1-3-16(22)21-15-10-13(14(23-2)11-20-15)5-4-12-6-8-17(18,19)9-7-12;1-3-14(21)20-12-8-11(15(22-2)19-9-12)10-23-13-4-6-16(17,18)7-5-13;1-3-14(19)18-12-6-11(15(20-2)17-9-12)10-21-13-7-16(8-13)4-5-16/h4-5,8,11,13,15H,1,6-7,9-10H2,2-3H3,(H,23,24,25);3-4,7,10-12,14H,1,5-6,8-9H2,2H3,(H,22,23,24);3,8-9,12,14H,1,4-7,10H2,2H3,(H,22,23);3-5,10-12H,1,6-9H2,2H3,(H,20,21,22);3,8-9,13H,1,4-7,10H2,2H3,(H,20,21);3,6,9,13H,1,4-5,7-8,10H2,2H3,(H,18,19)/b8-5+;7-4+;;5-4+;;.
What are the key properties of N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide?
N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 2018.18 g/mol, XLogP of 23.39, 33 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(4,4-difluorocyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[5-methoxy-6-methyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide;N-[5-methoxy-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-2-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 167703743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).