N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide

C19H18ClF3N2O — CID 162613904

IUPACN-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](c2cc(C(F)(F)F)ccc2Cl)C1)c1ccccn1
InChIInChI=1S/C19H18ClF3N2O/c20-16-8-7-13(19(21,22)23)11-15(16)12-4-3-5-14(10-12)25-18(26)17-6-1-2-9-24-17/h1-2,6-9,11-12,14H,3-5,10H2,(H,25,26)/t12-,14+/m0/s1
InChIKeyJHWZGHRZSCZKQL-GXTWGEPZSA-N
MW382.81 g/mol
LogP5.21
Rot. Bonds3

About N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide

N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 162613904) has the molecular formula C19H18ClF3N2O and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID162613904
Molecular FormulaC19H18ClF3N2O
Molecular Weight382.81 g/mol
Exact Mass382.11
IUPAC NameN-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](c2cc(C(F)(F)F)ccc2Cl)C1)c1ccccn1
InChIInChI=1S/C19H18ClF3N2O/c20-16-8-7-13(19(21,22)23)11-15(16)12-4-3-5-14(10-12)25-18(26)17-6-1-2-9-24-17/h1-2,6-9,11-12,14H,3-5,10H2,(H,25,26)/t12-,14+/m0/s1
InChIKeyJHWZGHRZSCZKQL-GXTWGEPZSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.81
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
CID 174656264
6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341522
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274775
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-(3-hydroxycyclobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909152
N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide
CID 155476798
N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 151283957

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide (CID 162613904) is N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide is O=C(N[C@@H]1CCC[C@H](c2cc(C(F)(F)F)ccc2Cl)C1)c1ccccn1.
What is the InChIKey of N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is JHWZGHRZSCZKQL-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H18ClF3N2O/c20-16-8-7-13(19(21,22)23)11-15(16)12-4-3-5-14(10-12)25-18(26)17-6-1-2-9-24-17/h1-2,6-9,11-12,14H,3-5,10H2,(H,25,26)/t12-,14+/m0/s1.
What are the key properties of N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide?
N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 162613904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).