2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C17H18F3N3O3 — CID 126475165

IUPAC2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)nc1NCCOC
InChIInChI=1S/C17H18F3N3O3/c1-21-16(24)13-6-7-14(23-15(13)22-8-9-25-2)11-4-3-5-12(10-11)26-17(18,19)20/h3-7,10H,8-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKLFVUVXKVARRPW-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.07
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 126475165) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID126475165
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)nc1NCCOC
InChIInChI=1S/C17H18F3N3O3/c1-21-16(24)13-6-7-14(23-15(13)22-8-9-25-2)11-4-3-5-12(10-11)26-17(18,19)20/h3-7,10H,8-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKLFVUVXKVARRPW-UHFFFAOYSA-N
XLogP3.07
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
2-(3-methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468698
2-(3-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468699
4-(4-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 121284991
6-[benzyl(ethyl)amino]-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 25218733
2-(2-Methoxyanilino)-4,6-dimethylpyridine-3-carboxamide
CID 748345
Ethyl 1-butyl-7-[4-(difluoromethoxy)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2409116
1-ethyl-N~3~-(4-methoxyphenethyl)-7-methyl-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide
CID 2470993
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086909
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-4,6-dimethylpyridine-3-carboxamide
CID 44324012

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 126475165) is 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CNC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)nc1NCCOC.
What is the InChIKey of 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is KLFVUVXKVARRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-21-16(24)13-6-7-14(23-15(13)22-8-9-25-2)11-4-3-5-12(10-11)26-17(18,19)20/h3-7,10H,8-9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126475165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).