6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C28H23Cl3F6N6O6 — CID 159287948

IUPAC6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cnc(Cl)cc1C(F)(F)F.CON(C)C(=O)c1cnc(Oc2ccc(Cl)nc2)cc1C(F)(F)F.Oc1ccc(Cl)nc1
InChIInChI=1S/C14H11ClF3N3O3.C9H8ClF3N2O2.C5H4ClNO/c1-21(23-2)13(22)9-7-20-12(5-10(9)14(16,17)18)24-8-3-4-11(15)19-6-8;1-15(17-2)8(16)5-4-14-7(10)3-6(5)9(11,12)13;6-5-2-1-4(8)3-7-5/h3-7H,1-2H3;3-4H,1-2H3;1-3,8H
InChIKeyKZTCBADTKQTVGC-UHFFFAOYSA-N
MW759.88 g/mol
LogP7.40
Rot. Bonds6

About 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159287948) has the molecular formula C28H23Cl3F6N6O6 and a molecular weight of 759.88 g/mol. Its IUPAC name is 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID159287948
Molecular FormulaC28H23Cl3F6N6O6
Molecular Weight759.88 g/mol
Exact Mass758.06
IUPAC Name6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cnc(Cl)cc1C(F)(F)F.CON(C)C(=O)c1cnc(Oc2ccc(Cl)nc2)cc1C(F)(F)F.Oc1ccc(Cl)nc1
InChIInChI=1S/C14H11ClF3N3O3.C9H8ClF3N2O2.C5H4ClNO/c1-21(23-2)13(22)9-7-20-12(5-10(9)14(16,17)18)24-8-3-4-11(15)19-6-8;1-15(17-2)8(16)5-4-14-7(10)3-6(5)9(11,12)13;6-5-2-1-4(8)3-7-5/h3-7H,1-2H3;3-4H,1-2H3;1-3,8H
InChIKeyKZTCBADTKQTVGC-UHFFFAOYSA-N
XLogP7.40
TPSA140.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.88
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 150863649
6-ethyl-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 144787110
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871
N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726972
6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridin-3-amine;3-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 161008124
magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide
CID 159888705
6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
CID 86709600
N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727323
N-methoxy-N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 154703212
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 159287948) is 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is CON(C)C(=O)c1cnc(Cl)cc1C(F)(F)F.CON(C)C(=O)c1cnc(Oc2ccc(Cl)nc2)cc1C(F)(F)F.Oc1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KZTCBADTKQTVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3.C9H8ClF3N2O2.C5H4ClNO/c1-21(23-2)13(22)9-7-20-12(5-10(9)14(16,17)18)24-8-3-4-11(15)19-6-8;1-15(17-2)8(16)5-4-14-7(10)3-6(5)9(11,12)13;6-5-2-1-4(8)3-7-5/h3-7H,1-2H3;3-4H,1-2H3;1-3,8H.
What are the key properties of 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 759.88 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;6-chloropyridin-3-ol;6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 159287948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).