N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C66H50Cl3F6N9O5 — CID 123818813

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cc1ccc(C(=O)N(C(=O)c2ccc(C(F)(F)F)nc2C)c2ccc(Cl)c(-c3ccccn3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C27H20ClF3N4O2.C20H17ClN2O2.C19H13ClF3N3O/c1-15-7-9-19(16(2)33-15)25(36)35(26(37)20-10-12-24(27(29,30)31)34-17(20)3)18-8-11-22(28)21(14-18)23-6-4-5-13-32-23;1-13-9-14(11-16(10-13)25-2)20(24)23-15-6-7-18(21)17(12-15)19-5-3-4-8-22-19;1-11-13(6-8-17(25-11)19(21,22)23)18(27)26-12-5-7-15(20)14(10-12)16-4-2-3-9-24-16/h4-14H,1-3H3;3-12H,1-2H3,(H,23,24);2-10H,1H3,(H,26,27)
InChIKeyPBLUQUGFDJYQKU-UHFFFAOYSA-N
MW1269.53 g/mol
LogP16.97
Rot. Bonds11

About N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 123818813) has the molecular formula C66H50Cl3F6N9O5 and a molecular weight of 1269.53 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID123818813
Molecular FormulaC66H50Cl3F6N9O5
Molecular Weight1269.53 g/mol
Exact Mass1267.29
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cc1ccc(C(=O)N(C(=O)c2ccc(C(F)(F)F)nc2C)c2ccc(Cl)c(-c3ccccn3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C27H20ClF3N4O2.C20H17ClN2O2.C19H13ClF3N3O/c1-15-7-9-19(16(2)33-15)25(36)35(26(37)20-10-12-24(27(29,30)31)34-17(20)3)18-8-11-22(28)21(14-18)23-6-4-5-13-32-23;1-13-9-14(11-16(10-13)25-2)20(24)23-15-6-7-18(21)17(12-15)19-5-3-4-8-22-19;1-11-13(6-8-17(25-11)19(21,22)23)18(27)26-12-5-7-15(20)14(10-12)16-4-2-3-9-24-16/h4-14H,1-3H3;3-12H,1-2H3,(H,23,24);2-10H,1H3,(H,26,27)
InChIKeyPBLUQUGFDJYQKU-UHFFFAOYSA-N
XLogP16.97
TPSA182.15 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001269.53
LogP ≤ 516.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 123818813) is N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cc1ccc(C(=O)N(C(=O)c2ccc(C(F)(F)F)nc2C)c2ccc(Cl)c(-c3ccccn3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PBLUQUGFDJYQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClF3N4O2.C20H17ClN2O2.C19H13ClF3N3O/c1-15-7-9-19(16(2)33-15)25(36)35(26(37)20-10-12-24(27(29,30)31)34-17(20)3)18-8-11-22(28)21(14-18)23-6-4-5-13-32-23;1-13-9-14(11-16(10-13)25-2)20(24)23-15-6-7-18(21)17(12-15)19-5-3-4-8-22-19;1-11-13(6-8-17(25-11)19(21,22)23)18(27)26-12-5-7-15(20)14(10-12)16-4-2-3-9-24-16/h4-14H,1-3H3;3-12H,1-2H3,(H,23,24);2-10H,1H3,(H,26,27).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1269.53 g/mol, XLogP of 16.97, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethyl-N-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-5-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123818813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).