2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C19H20F3N3O — CID 109166365

IUPAC2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-8-4-5-9-16(15)25-18(26)13-10-11-23-17(12-13)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,24)(H,25,26)
InChIKeyZWHSZUXUYCZDFS-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.10
Rot. Bonds4

About 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109166365) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109166365
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccnc(NC2CCCCC2)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-8-4-5-9-16(15)25-18(26)13-10-11-23-17(12-13)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,24)(H,25,26)
InChIKeyZWHSZUXUYCZDFS-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109341925
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
ethyl 2-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175109
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381
N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109360904
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 122149926
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109166365) is 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccnc(NC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is ZWHSZUXUYCZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)15-8-4-5-9-16(15)25-18(26)13-10-11-23-17(12-13)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,24)(H,25,26).
What are the key properties of 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109166365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).