2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide

C18H18Cl2N2O — CID 125490711

IUPAC2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1c1ccccc1Cl)c1cccnc1Cl
InChIInChI=1S/C18H18Cl2N2O/c19-15-9-3-1-6-12(15)13-7-2-4-10-16(13)22-18(23)14-8-5-11-21-17(14)20/h1,3,5-6,8-9,11,13,16H,2,4,7,10H2,(H,22,23)/t13-,16-/m1/s1
InChIKeyHARJZEYLZJRJLX-CZUORRHYSA-N
MW349.26 g/mol
LogP4.84
Rot. Bonds3

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

2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 125490711) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID125490711
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1c1ccccc1Cl)c1cccnc1Cl
InChIInChI=1S/C18H18Cl2N2O/c19-15-9-3-1-6-12(15)13-7-2-4-10-16(13)22-18(23)14-8-5-11-21-17(14)20/h1,3,5-6,8-9,11,13,16H,2,4,7,10H2,(H,22,23)/t13-,16-/m1/s1
InChIKeyHARJZEYLZJRJLX-CZUORRHYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide (CID 125490711) is 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1Cl)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is HARJZEYLZJRJLX-CZUORRHYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-15-9-3-1-6-12(15)13-7-2-4-10-16(13)22-18(23)14-8-5-11-21-17(14)20/h1,3,5-6,8-9,11,13,16H,2,4,7,10H2,(H,22,23)/t13-,16-/m1/s1.
What are the key properties of 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide?
2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 349.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R)-2-(2-chlorophenyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 125490711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).