N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine

C112H107F19N20O — CID 158810801

IUPACN-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine
SMILESCC(F)(F)c1nc(-c2cncc(F)c2)ccc1NC1CC1.CC(F)(F)c1nc(-c2cncc(F)c2)ccc1NC1CCCCC1.CCCCCCNc1ccc(-c2cncc(F)c2)nc1C(F)(F)F.CCCNc1ccc(-c2cncc(F)c2)nc1C(C)(F)F.COc1nc(-c2cncc(F)c2)ccc1N.Fc1cncc(-c2ccc(CCCc3ccccc3)c(C(F)(F)F)n2)c1.Nc1ccc(-c2cncc(F)c2)nc1-c1ccccc1
InChIInChI=1S/C20H16F4N2.C18H20F3N3.C17H19F4N3.C16H12FN3.C15H14F3N3.C15H16F3N3.C11H10FN3O/c21-17-11-16(12-25-13-17)18-10-9-15(19(26-18)20(22,23)24)8-4-7-14-5-2-1-3-6-14;1-18(20,21)17-16(23-14-5-3-2-4-6-14)8-7-15(24-17)12-9-13(19)11-22-10-12;1-2-3-4-5-8-23-15-7-6-14(24-16(15)17(19,20)21)12-9-13(18)11-22-10-12;17-13-8-12(9-19-10-13)15-7-6-14(18)16(20-15)11-4-2-1-3-5-11;1-15(17,18)14-13(20-11-2-3-11)5-4-12(21-14)9-6-10(16)8-19-7-9;1-3-6-20-13-5-4-12(21-14(13)15(2,17)18)10-7-11(16)9-19-8-10;1-16-11-9(13)2-3-10(15-11)7-4-8(12)6-14-5-7/h1-3,5-6,9-13H,4,7-8H2;7-11,14,23H,2-6H2,1H3;6-7,9-11,23H,2-5,8H2,1H3;1-10H,18H2;4-8,11,20H,2-3H2,1H3;4-5,7-9,20H,3,6H2,1-2H3;2-6H,13H2,1H3
InChIKeyIUQVYMMIVWTHGO-UHFFFAOYSA-N
MW2110.19 g/mol
LogP29.50
Rot. Bonds29

About N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine

N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine (PubChem CID 158810801) has the molecular formula C112H107F19N20O and a molecular weight of 2110.19 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine
PubChem CID158810801
Molecular FormulaC112H107F19N20O
Molecular Weight2110.19 g/mol
Exact Mass2108.86
IUPAC NameN-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine
SMILESCC(F)(F)c1nc(-c2cncc(F)c2)ccc1NC1CC1.CC(F)(F)c1nc(-c2cncc(F)c2)ccc1NC1CCCCC1.CCCCCCNc1ccc(-c2cncc(F)c2)nc1C(F)(F)F.CCCNc1ccc(-c2cncc(F)c2)nc1C(C)(F)F.COc1nc(-c2cncc(F)c2)ccc1N.Fc1cncc(-c2ccc(CCCc3ccccc3)c(C(F)(F)F)n2)c1.Nc1ccc(-c2cncc(F)c2)nc1-c1ccccc1
InChIInChI=1S/C20H16F4N2.C18H20F3N3.C17H19F4N3.C16H12FN3.C15H14F3N3.C15H16F3N3.C11H10FN3O/c21-17-11-16(12-25-13-17)18-10-9-15(19(26-18)20(22,23)24)8-4-7-14-5-2-1-3-6-14;1-18(20,21)17-16(23-14-5-3-2-4-6-14)8-7-15(24-17)12-9-13(19)11-22-10-12;1-2-3-4-5-8-23-15-7-6-14(24-16(15)17(19,20)21)12-9-13(18)11-22-10-12;17-13-8-12(9-19-10-13)15-7-6-14(18)16(20-15)11-4-2-1-3-5-11;1-15(17,18)14-13(20-11-2-3-11)5-4-12(21-14)9-6-10(16)8-19-7-9;1-3-6-20-13-5-4-12(21-14(13)15(2,17)18)10-7-11(16)9-19-8-10;1-16-11-9(13)2-3-10(15-11)7-4-8(12)6-14-5-7/h1-3,5-6,9-13H,4,7-8H2;7-11,14,23H,2-6H2,1H3;6-7,9-11,23H,2-5,8H2,1H3;1-10H,18H2;4-8,11,20H,2-3H2,1H3;4-5,7-9,20H,3,6H2,1-2H3;2-6H,13H2,1H3
InChIKeyIUQVYMMIVWTHGO-UHFFFAOYSA-N
XLogP29.50
TPSA289.85 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002110.19
LogP ≤ 529.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2,3-difluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164623699
N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164626715
US9802918, Example 83
CID 124089802
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 177378144
N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10392057
7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine
CID 21137465
4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]cyclohexan-1-amine
CID 24997336
4-[(1R)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]cyclohexan-1-amine
CID 24997337
4-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]cyclohexan-1-amine
CID 25001150
N-(2-(4-(difluoromethoxy)phenyl)-5-morpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907386
5,7-difluoro-N-(2'-methoxy-5-morpholino-2,4'-bipyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907604
N-(6'-ethoxy-5-morpholino-2,3'-bipyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907605

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine?
The IUPAC name of N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine (CID 158810801) is N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine?
The canonical SMILES for N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine is CC(F)(F)c1nc(-c2cncc(F)c2)ccc1NC1CC1.CC(F)(F)c1nc(-c2cncc(F)c2)ccc1NC1CCCCC1.CCCCCCNc1ccc(-c2cncc(F)c2)nc1C(F)(F)F.CCCNc1ccc(-c2cncc(F)c2)nc1C(C)(F)F.COc1nc(-c2cncc(F)c2)ccc1N.Fc1cncc(-c2ccc(CCCc3ccccc3)c(C(F)(F)F)n2)c1.Nc1ccc(-c2cncc(F)c2)nc1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine?
The InChIKey is IUQVYMMIVWTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2.C18H20F3N3.C17H19F4N3.C16H12FN3.C15H14F3N3.C15H16F3N3.C11H10FN3O/c21-17-11-16(12-25-13-17)18-10-9-15(19(26-18)20(22,23)24)8-4-7-14-5-2-1-3-6-14;1-18(20,21)17-16(23-14-5-3-2-4-6-14)8-7-15(24-17)12-9-13(19)11-22-10-12;1-2-3-4-5-8-23-15-7-6-14(24-16(15)17(19,20)21)12-9-13(18)11-22-10-12;17-13-8-12(9-19-10-13)15-7-6-14(18)16(20-15)11-4-2-1-3-5-11;1-15(17,18)14-13(20-11-2-3-11)5-4-12(21-14)9-6-10(16)8-19-7-9;1-3-6-20-13-5-4-12(21-14(13)15(2,17)18)10-7-11(16)9-19-8-10;1-16-11-9(13)2-3-10(15-11)7-4-8(12)6-14-5-7/h1-3,5-6,9-13H,4,7-8H2;7-11,14,23H,2-6H2,1H3;6-7,9-11,23H,2-5,8H2,1H3;1-10H,18H2;4-8,11,20H,2-3H2,1H3;4-5,7-9,20H,3,6H2,1-2H3;2-6H,13H2,1H3.
What are the key properties of N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine?
N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine has a molecular weight of 2110.19 g/mol, XLogP of 29.50, 29 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;N-cyclopropyl-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine;2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-propylpyridin-3-amine;6-(5-fluoro-3-pyridinyl)-N-hexyl-2-(trifluoromethyl)pyridin-3-amine;6-(5-fluoro-3-pyridinyl)-2-methoxypyridin-3-amine;6-(5-fluoro-3-pyridinyl)-3-(3-phenylpropyl)-2-(trifluoromethyl)pyridine;6-(5-fluoro-3-pyridinyl)-2-phenylpyridin-3-amine is sourced from PubChem (CID 158810801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).