bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C82H63Cl4F13N12O6 — CID 158716188

IUPACbis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(F)cn2)c1
InChIInChI=1S/2C21H17ClF3N3O2.C21H17ClF3N3O.C19H12ClF4N3O/c2*1-3-30-14-5-8-18(26-11-14)16-10-13(4-7-17(16)22)28-20(29)15-6-9-19(21(23,24)25)27-12(15)2;1-3-13-8-9-26-18(10-13)16-11-14(4-6-17(16)22)28-20(29)15-5-7-19(21(23,24)25)27-12(15)2;1-10-13(4-7-17(26-10)19(22,23)24)18(28)27-12-3-5-15(20)14(8-12)16-6-2-11(21)9-25-16/h2*4-11H,3H2,1-2H3,(H,28,29);4-11H,3H2,1-2H3,(H,28,29);2-9H,1H3,(H,27,28)
InChIKeyIJIKYJPKEFJDIN-UHFFFAOYSA-N
MW1701.27 g/mol
LogP23.00
Rot. Bonds17

About bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158716188) has the molecular formula C82H63Cl4F13N12O6 and a molecular weight of 1701.27 g/mol. Its IUPAC name is bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Namebis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID158716188
Molecular FormulaC82H63Cl4F13N12O6
Molecular Weight1701.27 g/mol
Exact Mass1698.35
IUPAC Namebis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(F)cn2)c1
InChIInChI=1S/2C21H17ClF3N3O2.C21H17ClF3N3O.C19H12ClF4N3O/c2*1-3-30-14-5-8-18(26-11-14)16-10-13(4-7-17(16)22)28-20(29)15-6-9-19(21(23,24)25)27-12(15)2;1-3-13-8-9-26-18(10-13)16-11-14(4-6-17(16)22)28-20(29)15-5-7-19(21(23,24)25)27-12(15)2;1-10-13(4-7-17(26-10)19(22,23)24)18(28)27-12-3-5-15(20)14(8-12)16-6-2-11(21)9-25-16/h2*4-11H,3H2,1-2H3,(H,28,29);4-11H,3H2,1-2H3,(H,28,29);2-9H,1H3,(H,27,28)
InChIKeyIJIKYJPKEFJDIN-UHFFFAOYSA-N
XLogP23.00
TPSA237.98 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.27
LogP ≤ 523.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-chloro-3-(5-ethoxypyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 58614681
N-(4-chloro-3-(5-methoxypyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 58614812
N-(4-chloro-3-(5-(2,2,2-trifluoroethoxy)pyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 58614893
N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
CID 58614927
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
CID 58614933
N-[4-chloro-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
CID 58614935
N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
CID 70953815
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
CID 70953905
N-[4-chloro-3-[5-[3-(hydroxyamino)-3-oxopropoxy]-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 89930078
N-[4-chloro-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
CID 118018153
bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;bis(N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide)
CID 123343601
6-[(5-chloro-3-pyridinyl)oxymethyl]-N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]-5-(trifluoromethyl)pyridin-1-ium-1-yl]cyclohexyl]ethyl]pyridine-3-carboxamide
CID 123525877

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 158716188) is bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(F)cn2)c1.
What is the InChIKey of bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IJIKYJPKEFJDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17ClF3N3O2.C21H17ClF3N3O.C19H12ClF4N3O/c2*1-3-30-14-5-8-18(26-11-14)16-10-13(4-7-17(16)22)28-20(29)15-6-9-19(21(23,24)25)27-12(15)2;1-3-13-8-9-26-18(10-13)16-11-14(4-6-17(16)22)28-20(29)15-5-7-19(21(23,24)25)27-12(15)2;1-10-13(4-7-17(26-10)19(22,23)24)18(28)27-12-3-5-15(20)14(8-12)16-6-2-11(21)9-25-16/h2*4-11H,3H2,1-2H3,(H,28,29);4-11H,3H2,1-2H3,(H,28,29);2-9H,1H3,(H,27,28).
What are the key properties of bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1701.27 g/mol, XLogP of 23.00, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158716188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).