6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide

C19H25ClN2O2S — CID 58000882

IUPAC6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(Cl)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H25ClN2O2S/c1-2-5-25-18-14(3-4-15(20)21-18)17(23)22-16-12-6-11-7-13(16)10-19(24,8-11)9-12/h3-4,11-13,16,24H,2,5-10H2,1H3,(H,22,23)
InChIKeyFSOAHIMUXFEIRT-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.91
Rot. Bonds5

About 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide

6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 58000882) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
PubChem CID58000882
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(Cl)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H25ClN2O2S/c1-2-5-25-18-14(3-4-15(20)21-18)17(23)22-16-12-6-11-7-13(16)10-19(24,8-11)9-12/h3-4,11-13,16,24H,2,5-10H2,1H3,(H,22,23)
InChIKeyFSOAHIMUXFEIRT-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-propylsulfanylpyridine-3-carboxamide
CID 60165656
N-[(1R,3S)-5-hydroxy-2-adamantyl]-N-methyl-2-propylsulfanylpyridine-3-carboxamide
CID 60165657
N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
CID 71449567
N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
CID 71453180
6-(dimethylamino)-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
CID 71449568
N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide
CID 71456704
6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5-Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-Carboxamide
CID 70678490
6-chloro-N-cyclohexyl-2-phenethylsulfanyl-pyridine-3-carboxamide
CID 24965320
6-chloro-N-(5-hydroxy-2-adamantyl)-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide
CID 24965674
3-[(5-chloro-2-pyridinyl)sulfanyl]-N-(5-hydroxy-2-adamantyl)benzamide
CID 46213307
3-[(5-chloro-2-pyridinyl)sulfinyl]-N-(5-hydroxy-2-adamantyl)benzamide
CID 46213368
N-(2-adamantyl)-6-chloro-2-propylsulfanyl-pyridine-3-carboxamide
CID 59830614

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide (CID 58000882) is 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(Cl)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is FSOAHIMUXFEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2S/c1-2-5-25-18-14(3-4-15(20)21-18)17(23)22-16-12-6-11-7-13(16)10-19(24,8-11)9-12/h3-4,11-13,16,24H,2,5-10H2,1H3,(H,22,23).
What are the key properties of 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 380.94 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 58000882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).