N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C47H36F18N8O5S2 — CID 157411527

IUPACN-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESC=C(Nc1cc(C(F)(F)F)ncc1NC)c1nc(-c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)cc1S(=O)(=O)CC.CCS(=O)(=O)c1cc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N(C)c1cnc(C(F)(F)F)cc1N
InChIInChI=1S/C24H19F9N4O2S.C23H17F9N4O3S/c1-4-40(38,39)18-9-15(23(28,29)30)21(13-5-7-14(8-6-13)22(25,26)27)37-20(18)12(2)36-16-10-19(24(31,32)33)35-11-17(16)34-3;1-3-40(38,39)16-8-13(22(27,28)29)18(11-4-6-12(7-5-11)21(24,25)26)35-19(16)20(37)36(2)15-10-34-17(9-14(15)33)23(30,31)32/h5-11,34H,2,4H2,1,3H3,(H,35,36);4-10H,3H2,1-2H3,(H2,33,34)
InChIKeyBOIOPFIFFPKERX-UHFFFAOYSA-N
MW1198.95 g/mol
LogP12.97
Rot. Bonds12

About N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 157411527) has the molecular formula C47H36F18N8O5S2 and a molecular weight of 1198.95 g/mol. Its IUPAC name is N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound NameN-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID157411527
Molecular FormulaC47H36F18N8O5S2
Molecular Weight1198.95 g/mol
Exact Mass1198.20
IUPAC NameN-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESC=C(Nc1cc(C(F)(F)F)ncc1NC)c1nc(-c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)cc1S(=O)(=O)CC.CCS(=O)(=O)c1cc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N(C)c1cnc(C(F)(F)F)cc1N
InChIInChI=1S/C24H19F9N4O2S.C23H17F9N4O3S/c1-4-40(38,39)18-9-15(23(28,29)30)21(13-5-7-14(8-6-13)22(25,26)27)37-20(18)12(2)36-16-10-19(24(31,32)33)35-11-17(16)34-3;1-3-40(38,39)16-8-13(22(27,28)29)18(11-4-6-12(7-5-11)21(24,25)26)35-19(16)20(37)36(2)15-10-34-17(9-14(15)33)23(30,31)32/h5-11,34H,2,4H2,1,3H3,(H,35,36);4-10H,3H2,1-2H3,(H2,33,34)
InChIKeyBOIOPFIFFPKERX-UHFFFAOYSA-N
XLogP12.97
TPSA190.23 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001198.95
LogP ≤ 512.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine with MolForge

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Related Compounds

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N-((2'-Fluoro-2,4'-bipyridin-5-yl)methyl)-5-(3-(methylsulfonyl)phenyl)picolinamide
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4-[[5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]piperazin-2-one
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4-(3-methylsulfonylpyridin-2-yl)-N-[6-(trifluoromethyl)pyridin-3-yl]benzamide
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CID 68093844
5-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfonylmethyl]-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 68093847
5-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfonylmethyl]-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 68094053
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(1,1-dioxothian-4-yl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 70654804
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-[4-(1,1-dioxothian-4-yl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 157411527) is N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is C=C(Nc1cc(C(F)(F)F)ncc1NC)c1nc(-c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)cc1S(=O)(=O)CC.CCS(=O)(=O)c1cc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N(C)c1cnc(C(F)(F)F)cc1N.
What is the InChIKey of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is BOIOPFIFFPKERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F9N4O2S.C23H17F9N4O3S/c1-4-40(38,39)18-9-15(23(28,29)30)21(13-5-7-14(8-6-13)22(25,26)27)37-20(18)12(2)36-16-10-19(24(31,32)33)35-11-17(16)34-3;1-3-40(38,39)16-8-13(22(27,28)29)18(11-4-6-12(7-5-11)21(24,25)26)35-19(16)20(37)36(2)15-10-34-17(9-14(15)33)23(30,31)32/h5-11,34H,2,4H2,1,3H3,(H,35,36);4-10H,3H2,1-2H3,(H2,33,34).
What are the key properties of N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 1198.95 g/mol, XLogP of 12.97, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;4-N-[1-[3-ethylsulfonyl-5-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 157411527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).