6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide

C20H23ClN2OS — CID 24965320

IUPAC6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)nc1SCCc1ccccc1
InChIInChI=1S/C20H23ClN2OS/c21-18-12-11-17(19(24)22-16-9-5-2-6-10-16)20(23-18)25-14-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,16H,2,5-6,9-10,13-14H2,(H,22,24)
InChIKeyMWYRXSBQSPYSFZ-UHFFFAOYSA-N
MW374.94 g/mol
LogP5.13
Rot. Bonds6

About 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide

6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide (PubChem CID 24965320) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide
PubChem CID24965320
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)nc1SCCc1ccccc1
InChIInChI=1S/C20H23ClN2OS/c21-18-12-11-17(19(24)22-16-9-5-2-6-10-16)20(23-18)25-14-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,16H,2,5-6,9-10,13-14H2,(H,22,24)
InChIKeyMWYRXSBQSPYSFZ-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.94
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
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N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2117002
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2537444
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
2-[(2-chloro-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 10068558
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10450882
N-(4-Chlorophenyl)-2-(4-pyridylmethylthio)pyridine-3-carboxamide
CID 11725783
VU0010010
CID 154733029
N-cycloheptyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2448573

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide (CID 24965320) is 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(Cl)nc1SCCc1ccccc1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is MWYRXSBQSPYSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c21-18-12-11-17(19(24)22-16-9-5-2-6-10-16)20(23-18)25-14-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,16H,2,5-6,9-10,13-14H2,(H,22,24).
What are the key properties of 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide?
6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 374.94 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 24965320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).