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

C18H16Cl2F3N3O — CID 11661679

IUPAC2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1c1ncc(C(F)(F)F)cc1Cl)c1cccnc1Cl
InChIInChI=1S/C18H16Cl2F3N3O/c19-13-8-10(18(21,22)23)9-25-15(13)11-4-1-2-6-14(11)26-17(27)12-5-3-7-24-16(12)20/h3,5,7-9,11,14H,1-2,4,6H2,(H,26,27)/t11-,14-/m1/s1
InChIKeyYOXKECMKGWHKMN-BXUZGUMPSA-N
MW418.25 g/mol
LogP5.26
Rot. Bonds3

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

2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 11661679) has the molecular formula C18H16Cl2F3N3O and a molecular weight of 418.25 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID11661679
Molecular FormulaC18H16Cl2F3N3O
Molecular Weight418.25 g/mol
Exact Mass417.06
IUPAC Name2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1c1ncc(C(F)(F)F)cc1Cl)c1cccnc1Cl
InChIInChI=1S/C18H16Cl2F3N3O/c19-13-8-10(18(21,22)23)9-25-15(13)11-4-1-2-6-14(11)26-17(27)12-5-3-7-24-16(12)20/h3,5,7-9,11,14H,1-2,4,6H2,(H,26,27)/t11-,14-/m1/s1
InChIKeyYOXKECMKGWHKMN-BXUZGUMPSA-N
XLogP5.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
CID 125490711
2-chloro-N-[(1S,2R)-2-(2-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491090
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide
CID 125491431
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
CID 123946452
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2766871
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 171785759
2-bromo-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyridine-3-carboxamide
CID 171785720
trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 166452050
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide (CID 11661679) is 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1c1ncc(C(F)(F)F)cc1Cl)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is YOXKECMKGWHKMN-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O/c19-13-8-10(18(21,22)23)9-25-15(13)11-4-1-2-6-14(11)26-17(27)12-5-3-7-24-16(12)20/h3,5,7-9,11,14H,1-2,4,6H2,(H,26,27)/t11-,14-/m1/s1.
What are the key properties of 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide?
2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 418.25 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 11661679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).