N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide

C16H16F3N3O2 — CID 109166817

IUPACN-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3N3O2/c1-24-8-7-21-15(23)11-5-6-20-14(9-11)22-13-4-2-3-12(10-13)16(17,18)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyDOVWOKXOEUAGSO-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.22
Rot. Bonds6

About N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide (PubChem CID 109166817) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
PubChem CID109166817
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H16F3N3O2/c1-24-8-7-21-15(23)11-5-6-20-14(9-11)22-13-4-2-3-12(10-13)16(17,18)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyDOVWOKXOEUAGSO-UHFFFAOYSA-N
XLogP3.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166847
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide (CID 109166817) is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide is COCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The InChIKey is DOVWOKXOEUAGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-24-8-7-21-15(23)11-5-6-20-14(9-11)22-13-4-2-3-12(10-13)16(17,18)19/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109166817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).