N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide

C111H144F8N12O15 — CID 167559950

IUPACN-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-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)c(C2CC2)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(COC2CC3(CC3)C2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C(C)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C)(F)CC2)c1
InChIInChI=1S/C22H28F2N2O2.C20H26F2N2O2.C18H24F2N2O3.C18H23FN2O2.C17H23FN2O3.C16H20N2O3/c1-4-19(27)25-18-13-16(21(28-3)20(26-18)15-9-10-15)8-5-14-6-11-17(12-7-14)22(2,23)24;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;1-4-16(23)22-14-9-12(17(24-3)21-10-14)11-25-15-7-5-13(6-8-15)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;1-4-15(21)20-13-9-12(16(22-3)19-10-13)11-23-14-5-7-17(2,18)8-6-14;1-3-14(19)18-12-6-11(15(20-2)17-9-12)10-21-13-7-16(8-13)4-5-16/h4-5,8,13-15,17H,1,6-7,9-12H2,2-3H3,(H,25,26,27);5-6,9,12,14,16H,1,7-8,10-11H2,2-4H3,(H,23,24,25);4,9-10,13,15H,1,5-8,11H2,2-3H3,(H,22,23);4-6,11-13H,1,7-10H2,2-3H3,(H,20,21,22);4,9-10,14H,1,5-8,11H2,2-3H3,(H,20,21);3,6,9,13H,1,4-5,7-8,10H2,2H3,(H,18,19)/b8-5+;9-6+;;6-5+;;
InChIKeyDNDXDLQNPOQPKK-KPVHRGGESA-N
MW2038.43 g/mol
LogP24.73
Rot. Bonds37

About N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide

N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 167559950) has the molecular formula C111H144F8N12O15 and a molecular weight of 2038.43 g/mol. Its IUPAC name is N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide
PubChem CID167559950
Molecular FormulaC111H144F8N12O15
Molecular Weight2038.43 g/mol
Exact Mass2037.07
IUPAC NameN-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-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)c(C2CC2)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(COC2CC3(CC3)C2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C(C)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C)(F)CC2)c1
InChIInChI=1S/C22H28F2N2O2.C20H26F2N2O2.C18H24F2N2O3.C18H23FN2O2.C17H23FN2O3.C16H20N2O3/c1-4-19(27)25-18-13-16(21(28-3)20(26-18)15-9-10-15)8-5-14-6-11-17(12-7-14)22(2,23)24;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;1-4-16(23)22-14-9-12(17(24-3)21-10-14)11-25-15-7-5-13(6-8-15)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;1-4-15(21)20-13-9-12(16(22-3)19-10-13)11-23-14-5-7-17(2,18)8-6-14;1-3-14(19)18-12-6-11(15(20-2)17-9-12)10-21-13-7-16(8-13)4-5-16/h4-5,8,13-15,17H,1,6-7,9-12H2,2-3H3,(H,25,26,27);5-6,9,12,14,16H,1,7-8,10-11H2,2-4H3,(H,23,24,25);4,9-10,13,15H,1,5-8,11H2,2-3H3,(H,22,23);4-6,11-13H,1,7-10H2,2-3H3,(H,20,21,22);4,9-10,14H,1,5-8,11H2,2-3H3,(H,20,21);3,6,9,13H,1,4-5,7-8,10H2,2H3,(H,18,19)/b8-5+;9-6+;;6-5+;;
InChIKeyDNDXDLQNPOQPKK-KPVHRGGESA-N
XLogP24.73
TPSA335.01 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002038.43
LogP ≤ 524.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-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 N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide (CID 167559950) is N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-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)c(C2CC2)n1.C=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c(OC)cn1.C=CC(=O)Nc1cnc(OC)c(COC2CC3(CC3)C2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C(C)(F)F)CC2)c1.C=CC(=O)Nc1cnc(OC)c(COC2CCC(C)(F)CC2)c1.
What is the InChIKey of N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is DNDXDLQNPOQPKK-KPVHRGGESA-N. The full InChI is InChI=1S/C22H28F2N2O2.C20H26F2N2O2.C18H24F2N2O3.C18H23FN2O2.C17H23FN2O3.C16H20N2O3/c1-4-19(27)25-18-13-16(21(28-3)20(26-18)15-9-10-15)8-5-14-6-11-17(12-7-14)22(2,23)24;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;1-4-16(23)22-14-9-12(17(24-3)21-10-14)11-25-15-7-5-13(6-8-15)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;1-4-15(21)20-13-9-12(16(22-3)19-10-13)11-23-14-5-7-17(2,18)8-6-14;1-3-14(19)18-12-6-11(15(20-2)17-9-12)10-21-13-7-16(8-13)4-5-16/h4-5,8,13-15,17H,1,6-7,9-12H2,2-3H3,(H,25,26,27);5-6,9,12,14,16H,1,7-8,10-11H2,2-4H3,(H,23,24,25);4,9-10,13,15H,1,5-8,11H2,2-3H3,(H,22,23);4-6,11-13H,1,7-10H2,2-3H3,(H,20,21,22);4,9-10,14H,1,5-8,11H2,2-3H3,(H,20,21);3,6,9,13H,1,4-5,7-8,10H2,2H3,(H,18,19)/b8-5+;9-6+;;6-5+;;.
What are the key properties of N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide?
N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 2038.43 g/mol, XLogP of 24.73, 37 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-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-[[4-(1,1-difluoroethyl)cyclohexyl]oxymethyl]-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-[(4-fluoro-4-methylcyclohexyl)oxymethyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-(spiro[2.3]hexan-5-yloxymethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 167559950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).