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

C19H26N2O2S — CID 71453180

IUPACN-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)
InChIKeyXZXNGXVYYURRHN-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.25
Rot. Bonds5

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

N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 71453180) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
PubChem CID71453180
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22)
InChIKeyXZXNGXVYYURRHN-UHFFFAOYSA-N
XLogP3.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-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

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
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
N-(1-adamantyl)-N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 4795702
2-(1-Adamantylsulfanyl)pyridine-3-carboxamide
CID 13466159
N-(Adamantan-1-ylmethyl)-2-(methylthio)nicotinamide
CID 3362513
4-(3-hydroxy-3-methylbutyl)-N-[2-(2-pyridinylthio)ethyl]benzamide
CID 56886839
2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 10500736
4-[(2-Propylsulfanylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60165659
6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5-Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-Carboxamide
CID 70678490

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide (CID 71453180) is N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide is CCCSc1ncccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is XZXNGXVYYURRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-2-6-24-18-15(4-3-5-20-18)17(22)21-16-13-7-12-8-14(16)11-19(23,9-12)10-13/h3-5,12-14,16,23H,2,6-11H2,1H3,(H,21,22).
What are the key properties of N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71453180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).