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

C14H11ClF3N3O3 — CID 150863649

IUPAC6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cnc(Oc2ccc(Cl)nc2)cc1C(F)(F)F
InChIInChI=1S/C14H11ClF3N3O3/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/h3-7H,1-2H3
InChIKeyKSPBDTKGTGCYTR-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.57
Rot. Bonds4

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

6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 150863649) has the molecular formula C14H11ClF3N3O3 and a molecular weight of 361.71 g/mol. Its IUPAC name is 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID150863649
Molecular FormulaC14H11ClF3N3O3
Molecular Weight361.71 g/mol
Exact Mass361.04
IUPAC Name6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cnc(Oc2ccc(Cl)nc2)cc1C(F)(F)F
InChIInChI=1S/C14H11ClF3N3O3/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/h3-7H,1-2H3
InChIKeyKSPBDTKGTGCYTR-UHFFFAOYSA-N
XLogP3.57
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
6-ethyl-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 144787110
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
N-[(4-chlorophenyl)methyl]-6-ethoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726972
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
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
1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871
6-chloro-N-methoxy-N-methyl-4-(trifluoromethyl)pyridin-3-amine;3-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 161008124
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 150863649) is 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is CON(C)C(=O)c1cnc(Oc2ccc(Cl)nc2)cc1C(F)(F)F.
What is the InChIKey of 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KSPBDTKGTGCYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3/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/h3-7H,1-2H3.
What are the key properties of 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 361.71 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-3-pyridinyl)oxy]-N-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 150863649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).