N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine

C91H81F16N13O5 — CID 159010119

IUPACN-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine
SMILESCOC(=O)C(C)Nc1ccc(-c2cncc(C)c2)nc1C(F)(F)F.COC(=O)CNc1ccc(-c2cncc(C)c2)nc1C(F)(F)F.COc1cccc(CNc2ccc(-c3cncc(C)c3)nc2C(F)(F)F)c1.Cc1ccc(CCc2ccc(-c3cncc(C)c3)nc2C(F)(F)F)cc1.Fc1cccc(-c2ccc(NCc3ccccc3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C21H19F3N2.C20H18F3N3O.C19H14F4N2.C16H16F3N3O2.C15H14F3N3O2/c1-14-3-5-16(6-4-14)7-8-17-9-10-19(26-20(17)21(22,23)24)18-11-15(2)12-25-13-18;1-13-8-15(12-24-10-13)17-6-7-18(19(26-17)20(21,22)23)25-11-14-4-3-5-16(9-14)27-2;20-15-8-4-7-14(11-15)16-9-10-17(18(25-16)19(21,22)23)24-12-13-5-2-1-3-6-13;1-9-6-11(8-20-7-9)12-4-5-13(14(22-12)16(17,18)19)21-10(2)15(23)24-3;1-9-5-10(7-19-6-9)11-3-4-12(20-8-13(22)23-2)14(21-11)15(16,17)18/h3-6,9-13H,7-8H2,1-2H3;3-10,12,25H,11H2,1-2H3;1-11,24H,12H2;4-8,10,21H,1-3H3;3-7,20H,8H2,1-2H3
InChIKeyJSJMDNZCSDNVJQ-UHFFFAOYSA-N
MW1740.70 g/mol
LogP22.67
Rot. Bonds21

About N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine

N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine (PubChem CID 159010119) has the molecular formula C91H81F16N13O5 and a molecular weight of 1740.70 g/mol. Its IUPAC name is N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound NameN-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine
PubChem CID159010119
Molecular FormulaC91H81F16N13O5
Molecular Weight1740.70 g/mol
Exact Mass1739.62
IUPAC NameN-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine
SMILESCOC(=O)C(C)Nc1ccc(-c2cncc(C)c2)nc1C(F)(F)F.COC(=O)CNc1ccc(-c2cncc(C)c2)nc1C(F)(F)F.COc1cccc(CNc2ccc(-c3cncc(C)c3)nc2C(F)(F)F)c1.Cc1ccc(CCc2ccc(-c3cncc(C)c3)nc2C(F)(F)F)cc1.Fc1cccc(-c2ccc(NCc3ccccc3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C21H19F3N2.C20H18F3N3O.C19H14F4N2.C16H16F3N3O2.C15H14F3N3O2/c1-14-3-5-16(6-4-14)7-8-17-9-10-19(26-20(17)21(22,23)24)18-11-15(2)12-25-13-18;1-13-8-15(12-24-10-13)17-6-7-18(19(26-17)20(21,22)23)25-11-14-4-3-5-16(9-14)27-2;20-15-8-4-7-14(11-15)16-9-10-17(18(25-16)19(21,22)23)24-12-13-5-2-1-3-6-13;1-9-6-11(8-20-7-9)12-4-5-13(14(22-12)16(17,18)19)21-10(2)15(23)24-3;1-9-5-10(7-19-6-9)11-3-4-12(20-8-13(22)23-2)14(21-11)15(16,17)18/h3-6,9-13H,7-8H2,1-2H3;3-10,12,25H,11H2,1-2H3;1-11,24H,12H2;4-8,10,21H,1-3H3;3-7,20H,8H2,1-2H3
InChIKeyJSJMDNZCSDNVJQ-UHFFFAOYSA-N
XLogP22.67
TPSA225.96 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.70
LogP ≤ 522.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

CID 137423734
CID 137423734
CID 137423739
CID 137423739
1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 157267566
1-amino-1-pyridin-3-ylpropan-2-one;5-ethyl-2-fluoropyridine;3-ethyl-5-methylpyridine;3-ethyl-5-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;3-ethyl-2-(trifluoromethyl)pyridine;(2-fluoro-3-pyridinyl)methanamine;methane;(2-methoxy-3-pyridinyl)methanamine;(6-methoxy-3-pyridinyl)methanamine;(4-methylphenyl)methanamine;(2-methyl-3-pyridinyl)methanamine;1-phenylethanamine;2-phenylethanamine;(2-propan-2-yl-3-pyridinyl)methanamine;(1R)-1-pyridin-2-ylethanamine;(1S)-1-pyridin-2-ylethanamine;2-pyridin-2-ylethanamine;pyridin-2-ylmethanamine;pyridin-3-ylmethanamine
CID 158454710
3-[2-(2,4-difluorophenyl)ethyl]-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridine;N-ethyl-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;6-(3-fluorophenyl)-2-(trifluoromethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;6-(5-methyl-3-pyridinyl)-N-prop-2-enyl-2-(trifluoromethyl)pyridin-3-amine
CID 158531121
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
methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid;1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 159038286
N-ethyl-N-(pyridin-4-ylmethyl)formamide;N-[(3-fluorophenyl)methyl]formamide;N-[(3-fluorophenyl)methyl]-N-methylformamide;N-[2-(4-fluorophenyl)propan-2-yl]formamide;N-[(3-methoxyphenyl)methyl]formamide;N-[(4-methoxyphenyl)methyl]formamide;N-[(3-methylphenyl)methyl]formamide;N-[(4-methylphenyl)methyl]formamide;N-methyl-N-(pyridin-2-ylmethyl)formamide;N-methyl-N-(pyridin-4-ylmethyl)formamide;N-(pyridin-3-ylmethyl)formamide;N-[[4-(trifluoromethyl)phenyl]methyl]formamide
CID 160464957
1-Amino-1-pyridin-3-ylpropan-2-one;5-ethyl-2-fluoropyridine;3-ethyl-5-methylpyridine;3-ethyl-5-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;3-ethyl-2-(trifluoromethyl)pyridine;(2-fluoro-3-pyridinyl)methanamine;methane;(2-methoxy-3-pyridinyl)methanamine;(6-methoxy-3-pyridinyl)methanamine;(2-methyl-3-pyridinyl)methanamine;1-phenylethanamine;2-phenylethanamine;(2-propan-2-yl-3-pyridinyl)methanamine;1-pyridin-2-ylethanamine;2-pyridin-2-ylethanamine;pyridin-2-ylmethanamine;pyridin-3-ylmethanamine
CID 161429652
lithium;butane;2-(3-methoxyphenyl)-5-methylpiperidine;2-[(2S,5R)-2-(3-methoxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;2,2,2-trifluoroethyl 2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetate
CID 165027889
(2R)-4-[5-[4-[[(2R)-4-[5-[4-[[(2R)-1-[(3-methylpyrazin-2-yl)methyl]piperidine-2-carbonyl]amino]phenoxy]-2-pyridinyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-2-carbonyl]amino]phenoxy]-2-pyridinyl]-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 172371899
1,1-bis[6-(2,6-difluoro-3-methoxyphenyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 132493268

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine (CID 159010119) is N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine is COC(=O)C(C)Nc1ccc(-c2cncc(C)c2)nc1C(F)(F)F.COC(=O)CNc1ccc(-c2cncc(C)c2)nc1C(F)(F)F.COc1cccc(CNc2ccc(-c3cncc(C)c3)nc2C(F)(F)F)c1.Cc1ccc(CCc2ccc(-c3cncc(C)c3)nc2C(F)(F)F)cc1.Fc1cccc(-c2ccc(NCc3ccccc3)c(C(F)(F)F)n2)c1.
What is the InChIKey of N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine?
The InChIKey is JSJMDNZCSDNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2.C20H18F3N3O.C19H14F4N2.C16H16F3N3O2.C15H14F3N3O2/c1-14-3-5-16(6-4-14)7-8-17-9-10-19(26-20(17)21(22,23)24)18-11-15(2)12-25-13-18;1-13-8-15(12-24-10-13)17-6-7-18(19(26-17)20(21,22)23)25-11-14-4-3-5-16(9-14)27-2;20-15-8-4-7-14(11-15)16-9-10-17(18(25-16)19(21,22)23)24-12-13-5-2-1-3-6-13;1-9-6-11(8-20-7-9)12-4-5-13(14(22-12)16(17,18)19)21-10(2)15(23)24-3;1-9-5-10(7-19-6-9)11-3-4-12(20-8-13(22)23-2)14(21-11)15(16,17)18/h3-6,9-13H,7-8H2,1-2H3;3-10,12,25H,11H2,1-2H3;1-11,24H,12H2;4-8,10,21H,1-3H3;3-7,20H,8H2,1-2H3.
What are the key properties of N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine?
N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine has a molecular weight of 1740.70 g/mol, XLogP of 22.67, 21 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-fluorophenyl)-2-(trifluoromethyl)pyridin-3-amine;N-[(3-methoxyphenyl)methyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]acetate;methyl 2-[[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]amino]propanoate;3-[2-(4-methylphenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).