N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide

C94H106F7N11O11 — CID 167556616

IUPACN-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c2ocnc2c1.C=CC(=O)Nc1cnc(OC)c(-c2ccc(C(C)C)cc2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CC[C@@H](C(C)(F)F)OC2)c1.C=CC(=O)Nc1cnc2cccc(OC3CCC(C(C)(F)F)CC3)c2c1.C=CC(=O)Nc1cnc2ccnc(OC3CCC(C(C)(F)F)CC3)c2c1
InChIInChI=1S/C20H22F2N2O2.C19H21F2N3O2.C19H21FN2O2.C18H22F2N2O3.C18H20N2O2/c1-3-19(25)24-14-11-16-17(23-12-14)5-4-6-18(16)26-15-9-7-13(8-10-15)20(2,21)22;1-3-17(25)24-13-10-15-16(23-11-13)8-9-22-18(15)26-14-6-4-12(5-7-14)19(2,20)21;1-3-17(23)22-15-10-14(18-16(11-15)21-12-24-18)5-4-13-6-8-19(2,20)9-7-13;1-4-16(23)22-14-9-13(17(24-3)21-10-14)7-5-12-6-8-15(25-11-12)18(2,19)20;1-5-17(21)20-15-10-16(18(22-4)19-11-15)14-8-6-13(7-9-14)12(2)3/h3-6,11-13,15H,1,7-10H2,2H3,(H,24,25);3,8-12,14H,1,4-7H2,2H3,(H,24,25);3-5,10-13H,1,6-9H2,2H3,(H,22,23);4-5,7,9-10,12,15H,1,6,8,11H2,2-3H3,(H,22,23);5-12H,1H2,2-4H3,(H,20,21)/b;;5-4+;7-5+;/t;;;12-,15+;/m...1./s1
InChIKeyDCDISOOBSKKQBA-UEAUYLLESA-N
MW1698.93 g/mol
LogP21.87
Rot. Bonds25

About N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide

N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide (PubChem CID 167556616) has the molecular formula C94H106F7N11O11 and a molecular weight of 1698.93 g/mol. Its IUPAC name is N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide
PubChem CID167556616
Molecular FormulaC94H106F7N11O11
Molecular Weight1698.93 g/mol
Exact Mass1697.80
IUPAC NameN-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c2ocnc2c1.C=CC(=O)Nc1cnc(OC)c(-c2ccc(C(C)C)cc2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CC[C@@H](C(C)(F)F)OC2)c1.C=CC(=O)Nc1cnc2cccc(OC3CCC(C(C)(F)F)CC3)c2c1.C=CC(=O)Nc1cnc2ccnc(OC3CCC(C(C)(F)F)CC3)c2c1
InChIInChI=1S/C20H22F2N2O2.C19H21F2N3O2.C19H21FN2O2.C18H22F2N2O3.C18H20N2O2/c1-3-19(25)24-14-11-16-17(23-12-14)5-4-6-18(16)26-15-9-7-13(8-10-15)20(2,21)22;1-3-17(25)24-13-10-15-16(23-11-13)8-9-22-18(15)26-14-6-4-12(5-7-14)19(2,20)21;1-3-17(23)22-15-10-14(18-16(11-15)21-12-24-18)5-4-13-6-8-19(2,20)9-7-13;1-4-16(23)22-14-9-13(17(24-3)21-10-14)7-5-12-6-8-15(25-11-12)18(2,19)20;1-5-17(21)20-15-10-16(18(22-4)19-11-15)14-8-6-13(7-9-14)12(2)3/h3-6,11-13,15H,1,7-10H2,2H3,(H,24,25);3,8-12,14H,1,4-7H2,2H3,(H,24,25);3-5,10-13H,1,6-9H2,2H3,(H,22,23);4-5,7,9-10,12,15H,1,6,8,11H2,2-3H3,(H,22,23);5-12H,1H2,2-4H3,(H,20,21)/b;;5-4+;7-5+;/t;;;12-,15+;/m...1./s1
InChIKeyDCDISOOBSKKQBA-UEAUYLLESA-N
XLogP21.87
TPSA282.13 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.93
LogP ≤ 521.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide (CID 167556616) is N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(/C=C/C2CCC(C)(F)CC2)c2ocnc2c1.C=CC(=O)Nc1cnc(OC)c(-c2ccc(C(C)C)cc2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CC[C@@H](C(C)(F)F)OC2)c1.C=CC(=O)Nc1cnc2cccc(OC3CCC(C(C)(F)F)CC3)c2c1.C=CC(=O)Nc1cnc2ccnc(OC3CCC(C(C)(F)F)CC3)c2c1.
What is the InChIKey of N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is DCDISOOBSKKQBA-UEAUYLLESA-N. The full InChI is InChI=1S/C20H22F2N2O2.C19H21F2N3O2.C19H21FN2O2.C18H22F2N2O3.C18H20N2O2/c1-3-19(25)24-14-11-16-17(23-12-14)5-4-6-18(16)26-15-9-7-13(8-10-15)20(2,21)22;1-3-17(25)24-13-10-15-16(23-11-13)8-9-22-18(15)26-14-6-4-12(5-7-14)19(2,20)21;1-3-17(23)22-15-10-14(18-16(11-15)21-12-24-18)5-4-13-6-8-19(2,20)9-7-13;1-4-16(23)22-14-9-13(17(24-3)21-10-14)7-5-12-6-8-15(25-11-12)18(2,19)20;1-5-17(21)20-15-10-16(18(22-4)19-11-15)14-8-6-13(7-9-14)12(2)3/h3-6,11-13,15H,1,7-10H2,2H3,(H,24,25);3,8-12,14H,1,4-7H2,2H3,(H,24,25);3-5,10-13H,1,6-9H2,2H3,(H,22,23);4-5,7,9-10,12,15H,1,6,8,11H2,2-3H3,(H,22,23);5-12H,1H2,2-4H3,(H,20,21)/b;;5-4+;7-5+;/t;;;12-,15+;/m...1./s1.
What are the key properties of N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide?
N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 1698.93 g/mol, XLogP of 21.87, 25 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide;N-[5-[4-(1,1-difluoroethyl)cyclohexyl]oxyquinolin-3-yl]prop-2-enamide;N-[5-[(E)-2-[(3S,6S)-6-(1,1-difluoroethyl)oxan-3-yl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[7-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 167556616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).