6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C16H15ClF3N3O2 — CID 109153089

IUPAC6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H15ClF3N3O2/c1-25-7-6-21-15(24)10-2-5-14(22-9-10)23-11-3-4-13(17)12(8-11)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyJEWNSYPYVLNELM-UHFFFAOYSA-N
MW373.76 g/mol
LogP3.87
Rot. Bonds6

About 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109153089) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109153089
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H15ClF3N3O2/c1-25-7-6-21-15(24)10-2-5-14(22-9-10)23-11-3-4-13(17)12(8-11)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyJEWNSYPYVLNELM-UHFFFAOYSA-N
XLogP3.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 53.87
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

6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
N-(4-chloro-2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-4-(N,N-dimethylcarbamimidoyl)-2-((2-methoxyethyl)(methyl)amino)benzamide
CID 44565631
2-chloro-4,5-difluoro-N-{2-[(2-pyridinylamino)carbonyl]phenyl}benzamide
CID 992680
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10131963
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10290951
6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 10385575
6-(3-Chlorophenylamino)-N-(4-fluorobenzyl)-4-isopropyl-nicotinamide
CID 17984783
6-(2,4-Dichloro-phenylamino)-N-(tetrahydropyran-4-ylmethyl)-4-trifluoromethyl-nicotinamide
CID 17984800
N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 22249429
Rac-(6-(4-chlorophenylamino)pyridin-3-yl)(2-methylpiperidin-1-yl)methanone
CID 23725275
Rac-(6-(4-chlorophenylamino)pyridin-3-yl)(3-methylpiperidin-1-yl)methanone
CID 23725277
Azepan-1-yl(6-(4-chlorophenylamino)pyridin-3-yl)methanone
CID 23725593

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109153089) is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is JEWNSYPYVLNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-25-7-6-21-15(24)10-2-5-14(22-9-10)23-11-3-4-13(17)12(8-11)16(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 373.76 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).