6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane

C120H151Cl2F6N15O13 — CID 161427242

IUPAC6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane
SMILESC.C.C.C.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C(C)(F)F.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCC1.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCO1.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C1CCCCC1.C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O2.C20H24ClN3O2.C20H24FN3O2.C20H23FN2O3.C18H22ClN3O2.C17H17F3N2O2.4CH4/c1-15(16-6-3-2-4-7-16)24-21(25)17-10-11-19(23-13-17)14-26-20-9-5-8-18(22)12-20;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-17(23-12-16)13-26-18-9-10-22-19(21)11-18;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-18(23-10-16)13-26-19-9-17(21)11-22-12-19;1-14(19-7-2-3-10-25-19)23-20(24)15-8-9-17(22-12-15)13-26-18-6-4-5-16(21)11-18;1-12(18(2,3)4)22-17(23)13-5-6-14(21-10-13)11-24-15-7-8-20-16(19)9-15;1-11(17(2,19)20)22-16(23)12-6-7-14(21-9-12)10-24-15-5-3-4-13(18)8-15;;;;/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,24,25);2*7-12,14-15H,2-6,13H2,1H3,(H,24,25);4-6,8-9,11-12,14,19H,2-3,7,10,13H2,1H3,(H,23,24);5-10,12H,11H2,1-4H3,(H,22,23);3-9,11H,10H2,1-2H3,(H,22,23);4*1H4/t;2*14-;;12-;;;;;/m.11.1...../s1
InChIKeyVXNHDEUSIJEDOI-HRHOKMNZSA-N
MW2196.51 g/mol
LogP26.28
Rot. Bonds35

About 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane

6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane (PubChem CID 161427242) has the molecular formula C120H151Cl2F6N15O13 and a molecular weight of 2196.51 g/mol. Its IUPAC name is 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane.

Molecular Properties

Compound Name6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane
PubChem CID161427242
Molecular FormulaC120H151Cl2F6N15O13
Molecular Weight2196.51 g/mol
Exact Mass2194.09
IUPAC Name6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane
SMILESC.C.C.C.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C(C)(F)F.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCC1.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCO1.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C1CCCCC1.C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O2.C20H24ClN3O2.C20H24FN3O2.C20H23FN2O3.C18H22ClN3O2.C17H17F3N2O2.4CH4/c1-15(16-6-3-2-4-7-16)24-21(25)17-10-11-19(23-13-17)14-26-20-9-5-8-18(22)12-20;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-17(23-12-16)13-26-18-9-10-22-19(21)11-18;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-18(23-10-16)13-26-19-9-17(21)11-22-12-19;1-14(19-7-2-3-10-25-19)23-20(24)15-8-9-17(22-12-15)13-26-18-6-4-5-16(21)11-18;1-12(18(2,3)4)22-17(23)13-5-6-14(21-10-13)11-24-15-7-8-20-16(19)9-15;1-11(17(2,19)20)22-16(23)12-6-7-14(21-9-12)10-24-15-5-3-4-13(18)8-15;;;;/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,24,25);2*7-12,14-15H,2-6,13H2,1H3,(H,24,25);4-6,8-9,11-12,14,19H,2-3,7,10,13H2,1H3,(H,23,24);5-10,12H,11H2,1-4H3,(H,22,23);3-9,11H,10H2,1-2H3,(H,22,23);4*1H4/t;2*14-;;12-;;;;;/m.11.1...../s1
InChIKeyVXNHDEUSIJEDOI-HRHOKMNZSA-N
XLogP26.28
TPSA355.22 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds35
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002196.51
LogP ≤ 526.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane?
The IUPAC name of 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane (CID 161427242) is 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane.
What is the SMILES notation for 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane?
The canonical SMILES for 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane is C.C.C.C.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C(C)(F)F.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCC1.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCO1.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C1CCCCC1.C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C1CCCCC1.
What is the InChIKey of 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane?
The InChIKey is VXNHDEUSIJEDOI-HRHOKMNZSA-N. The full InChI is InChI=1S/C21H25FN2O2.C20H24ClN3O2.C20H24FN3O2.C20H23FN2O3.C18H22ClN3O2.C17H17F3N2O2.4CH4/c1-15(16-6-3-2-4-7-16)24-21(25)17-10-11-19(23-13-17)14-26-20-9-5-8-18(22)12-20;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-17(23-12-16)13-26-18-9-10-22-19(21)11-18;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-18(23-10-16)13-26-19-9-17(21)11-22-12-19;1-14(19-7-2-3-10-25-19)23-20(24)15-8-9-17(22-12-15)13-26-18-6-4-5-16(21)11-18;1-12(18(2,3)4)22-17(23)13-5-6-14(21-10-13)11-24-15-7-8-20-16(19)9-15;1-11(17(2,19)20)22-16(23)12-6-7-14(21-9-12)10-24-15-5-3-4-13(18)8-15;;;;/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,24,25);2*7-12,14-15H,2-6,13H2,1H3,(H,24,25);4-6,8-9,11-12,14,19H,2-3,7,10,13H2,1H3,(H,23,24);5-10,12H,11H2,1-4H3,(H,22,23);3-9,11H,10H2,1-2H3,(H,22,23);4*1H4/t;2*14-;;12-;;;;;/m.11.1...../s1.
What are the key properties of 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane?
6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane has a molecular weight of 2196.51 g/mol, XLogP of 26.28, 35 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;methane is sourced from PubChem (CID 161427242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).