6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C35H26Cl3F6N5O4 — CID 158252546

IUPAC6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2cc(Cl)ncc2C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)cc1Cl
InChIInChI=1S/C22H19ClF3N3O3.C13H7Cl2F3N2O/c1-31-16-8-3-13(19(9-16)32-2)11-27-18-10-20(23)28-12-17(18)21(30)29-15-6-4-14(5-7-15)22(24,25)26;14-10-5-11(15)19-6-9(10)12(21)20-8-3-1-7(2-4-8)13(16,17)18/h3-10,12H,11H2,1-2H3,(H,27,28)(H,29,30);1-6H,(H,20,21)
InChIKeyGGWXKXLNHHNFSI-UHFFFAOYSA-N
MW800.97 g/mol
LogP10.29
Rot. Bonds9

About 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 158252546) has the molecular formula C35H26Cl3F6N5O4 and a molecular weight of 800.97 g/mol. Its IUPAC name is 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID158252546
Molecular FormulaC35H26Cl3F6N5O4
Molecular Weight800.97 g/mol
Exact Mass799.10
IUPAC Name6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2cc(Cl)ncc2C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)cc1Cl
InChIInChI=1S/C22H19ClF3N3O3.C13H7Cl2F3N2O/c1-31-16-8-3-13(19(9-16)32-2)11-27-18-10-20(23)28-12-17(18)21(30)29-15-6-4-14(5-7-15)22(24,25)26;14-10-5-11(15)19-6-9(10)12(21)20-8-3-1-7(2-4-8)13(16,17)18/h3-10,12H,11H2,1-2H3,(H,27,28)(H,29,30);1-6H,(H,20,21)
InChIKeyGGWXKXLNHHNFSI-UHFFFAOYSA-N
XLogP10.29
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.97
LogP ≤ 510.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 158252546) is 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1ccc(CNc2cc(Cl)ncc2C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)cc1Cl.
What is the InChIKey of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GGWXKXLNHHNFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3.C13H7Cl2F3N2O/c1-31-16-8-3-13(19(9-16)32-2)11-27-18-10-20(23)28-12-17(18)21(30)29-15-6-4-14(5-7-15)22(24,25)26;14-10-5-11(15)19-6-9(10)12(21)20-8-3-1-7(2-4-8)13(16,17)18/h3-10,12H,11H2,1-2H3,(H,27,28)(H,29,30);1-6H,(H,20,21).
What are the key properties of 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 800.97 g/mol, XLogP of 10.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4,6-dichloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158252546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).