N-[4-chloro-3-(6-chloro-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)

C78H55Cl5F12N12O7 — CID 158670094

IUPACN-[4-chloro-3-(6-chloro-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)
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.COc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cccc(Cl)n2)c1
InChIInChI=1S/2C20H15ClF3N3O2.C19H12Cl2F3N3O.C19H13ClF3N3O2/c2*1-11-14(5-8-18(26-11)20(22,23)24)19(28)27-12-3-6-16(21)15(9-12)17-7-4-13(29-2)10-25-17;1-10-12(6-8-16(25-10)19(22,23)24)18(28)26-11-5-7-14(20)13(9-11)15-3-2-4-17(21)27-15;1-10-13(4-7-17(25-10)19(21,22)23)18(28)26-11-2-5-15(20)14(8-11)16-6-3-12(27)9-24-16/h2*3-10H,1-2H3,(H,27,28);2-9H,1H3,(H,26,28);2-9,27H,1H3,(H,26,28)
InChIKeyIDVNTEKALXVURQ-UHFFFAOYSA-N
MW1677.62 g/mol
LogP21.88
Rot. Bonds14

About N-[4-chloro-3-(6-chloro-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)

N-[4-chloro-3-(6-chloro-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) (PubChem CID 158670094) has the molecular formula C78H55Cl5F12N12O7 and a molecular weight of 1677.62 g/mol. Its IUPAC name is N-[4-chloro-3-(6-chloro-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).

Molecular Properties

Compound NameN-[4-chloro-3-(6-chloro-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)
PubChem CID158670094
Molecular FormulaC78H55Cl5F12N12O7
Molecular Weight1677.62 g/mol
Exact Mass1674.26
IUPAC NameN-[4-chloro-3-(6-chloro-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)
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.COc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cccc(Cl)n2)c1
InChIInChI=1S/2C20H15ClF3N3O2.C19H12Cl2F3N3O.C19H13ClF3N3O2/c2*1-11-14(5-8-18(26-11)20(22,23)24)19(28)27-12-3-6-16(21)15(9-12)17-7-4-13(29-2)10-25-17;1-10-12(6-8-16(25-10)19(22,23)24)18(28)26-11-5-7-14(20)13(9-11)15-3-2-4-17(21)27-15;1-10-13(4-7-17(25-10)19(21,22)23)18(28)26-11-2-5-15(20)14(8-11)16-6-3-12(27)9-24-16/h2*3-10H,1-2H3,(H,27,28);2-9H,1H3,(H,26,28);2-9,27H,1H3,(H,26,28)
InChIKeyIDVNTEKALXVURQ-UHFFFAOYSA-N
XLogP21.88
TPSA258.21 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001677.62
LogP ≤ 521.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-(6-chloro-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) 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-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-hydroxypyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 58614938
N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
CID 70797616
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

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-chloro-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)?
The IUPAC name of N-[4-chloro-3-(6-chloro-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 158670094) is N-[4-chloro-3-(6-chloro-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).
What is the SMILES notation for N-[4-chloro-3-(6-chloro-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)?
The canonical SMILES for N-[4-chloro-3-(6-chloro-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) is COc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.COc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cccc(Cl)n2)c1.
What is the InChIKey of N-[4-chloro-3-(6-chloro-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)?
The InChIKey is IDVNTEKALXVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15ClF3N3O2.C19H12Cl2F3N3O.C19H13ClF3N3O2/c2*1-11-14(5-8-18(26-11)20(22,23)24)19(28)27-12-3-6-16(21)15(9-12)17-7-4-13(29-2)10-25-17;1-10-12(6-8-16(25-10)19(22,23)24)18(28)26-11-5-7-14(20)13(9-11)15-3-2-4-17(21)27-15;1-10-13(4-7-17(25-10)19(21,22)23)18(28)26-11-2-5-15(20)14(8-11)16-6-3-12(27)9-24-16/h2*3-10H,1-2H3,(H,27,28);2-9H,1H3,(H,26,28);2-9,27H,1H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(6-chloro-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)?
N-[4-chloro-3-(6-chloro-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) has a molecular weight of 1677.62 g/mol, XLogP of 21.88, 14 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-chloro-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) is sourced from PubChem (CID 158670094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).