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

C17H17ClF3N3O — CID 109151940

IUPAC6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-10(2)8-23-16(25)11-3-6-15(22-9-11)24-14-5-4-12(18)7-13(14)17(19,20)21/h3-7,9-10H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIGYDNKZNWGLJGB-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.88
Rot. Bonds5

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

6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 109151940) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID109151940
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-10(2)8-23-16(25)11-3-6-15(22-9-11)24-14-5-4-12(18)7-13(14)17(19,20)21/h3-7,9-10H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIGYDNKZNWGLJGB-UHFFFAOYSA-N
XLogP4.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161212
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
CID 113022034
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153836
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109574
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151889
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
CID 109160729
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)thiourea
CID 19676134
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide (CID 109151940) is 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CNC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)nc1.
What is the InChIKey of 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is IGYDNKZNWGLJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-10(2)8-23-16(25)11-3-6-15(22-9-11)24-14-5-4-12(18)7-13(14)17(19,20)21/h3-7,9-10H,8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide?
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).