5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C17H17ClF3N3O — CID 109195266

IUPAC5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-16(2,3)24-11-5-7-14(22-9-11)15(25)23-13-6-4-10(18)8-12(13)17(19,20)21/h4-9,24H,1-3H3,(H,23,25)
InChIKeyHJRPSQHNNHKHMI-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.22
Rot. Bonds3

About 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109195266) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109195266
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-16(2,3)24-11-5-7-14(22-9-11)15(25)23-13-6-4-10(18)8-12(13)17(19,20)21/h4-9,24H,1-3H3,(H,23,25)
InChIKeyHJRPSQHNNHKHMI-UHFFFAOYSA-N
XLogP5.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
CID 110705369
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184357
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
CID 109195255
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109195188
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317
5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224708

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109195266) is 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CC(C)(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc1.
What is the InChIKey of 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is HJRPSQHNNHKHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-16(2,3)24-11-5-7-14(22-9-11)15(25)23-13-6-4-10(18)8-12(13)17(19,20)21/h4-9,24H,1-3H3,(H,23,25).
What are the key properties of 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109195266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).