4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide

C17H17ClF3N3O — CID 109202996

IUPAC4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2cc(C(F)(F)F)ccc2Cl)ccn1
InChIInChI=1S/C17H17ClF3N3O/c1-10(2)9-23-16(25)15-8-12(5-6-22-15)24-14-7-11(17(19,20)21)3-4-13(14)18/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMJHYCQPHDCMMQA-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.88
Rot. Bonds5

About 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide

4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109202996) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109202996
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2cc(C(F)(F)F)ccc2Cl)ccn1
InChIInChI=1S/C17H17ClF3N3O/c1-10(2)9-23-16(25)15-8-12(5-6-22-15)24-14-7-11(17(19,20)21)3-4-13(14)18/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMJHYCQPHDCMMQA-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-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222326
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202969
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340340
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183964
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079916
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209570

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109202996) is 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1cc(Nc2cc(C(F)(F)F)ccc2Cl)ccn1.
What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is MJHYCQPHDCMMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-10(2)9-23-16(25)15-8-12(5-6-22-15)24-14-7-11(17(19,20)21)3-4-13(14)18/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-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 4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109202996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).