6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide

C15H20ClFN2OS — CID 59830657

IUPAC6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(Cl)c(F)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H20ClFN2OS/c1-2-8-21-15-11(9-12(17)13(16)19-15)14(20)18-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,18,20)
InChIKeyWTBTWEXSIZLAHK-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.44
Rot. Bonds5

About 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide

6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 59830657) has the molecular formula C15H20ClFN2OS and a molecular weight of 330.86 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide
PubChem CID59830657
Molecular FormulaC15H20ClFN2OS
Molecular Weight330.86 g/mol
Exact Mass330.10
IUPAC Name6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(Cl)c(F)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H20ClFN2OS/c1-2-8-21-15-11(9-12(17)13(16)19-15)14(20)18-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,18,20)
InChIKeyWTBTWEXSIZLAHK-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide (CID 59830657) is 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(Cl)c(F)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is WTBTWEXSIZLAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2OS/c1-2-8-21-15-11(9-12(17)13(16)19-15)14(20)18-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,18,20).
What are the key properties of 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide?
6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 330.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-5-fluoro-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 59830657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).