N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C19H19ClF3N3O — CID 109152592

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19ClF3N3O/c1-12-6-8-26(9-7-12)17-5-2-13(11-24-17)18(27)25-16-4-3-14(20)10-15(16)19(21,22)23/h2-5,10-12H,6-9H2,1H3,(H,25,27)
InChIKeyNZFNAMMTVSEZAU-UHFFFAOYSA-N
MW397.83 g/mol
LogP5.24
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109152592) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109152592
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19ClF3N3O/c1-12-6-8-26(9-7-12)17-5-2-13(11-24-17)18(27)25-16-4-3-14(20)10-15(16)19(21,22)23/h2-5,10-12H,6-9H2,1H3,(H,25,27)
InChIKeyNZFNAMMTVSEZAU-UHFFFAOYSA-N
XLogP5.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.83
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250990
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152595
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152591
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253975
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152600
6-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161705
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-(2-chloro-4,6-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152555
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 109152592) is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is NZFNAMMTVSEZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c1-12-6-8-26(9-7-12)17-5-2-13(11-24-17)18(27)25-16-4-3-14(20)10-15(16)19(21,22)23/h2-5,10-12H,6-9H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 397.83 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109152592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).