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

C20H28N2O2S — CID 71456704

IUPACN-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(C)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H28N2O2S/c1-3-6-25-19-16(5-4-12(2)21-19)18(23)22-17-14-7-13-8-15(17)11-20(24,9-13)10-14/h4-5,13-15,17,24H,3,6-11H2,1-2H3,(H,22,23)
InChIKeyUTOVQHGEYUJTPN-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.56
Rot. Bonds5

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

N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 71456704) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide
PubChem CID71456704
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(C)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H28N2O2S/c1-3-6-25-19-16(5-4-12(2)21-19)18(23)22-17-14-7-13-8-15(17)11-20(24,9-13)10-14/h4-5,13-15,17,24H,3,6-11H2,1-2H3,(H,22,23)
InChIKeyUTOVQHGEYUJTPN-UHFFFAOYSA-N
XLogP3.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
CID 71453180
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
2-cyclopropyl-N-(5-hydroxy-2-adamantyl)-6-methylpyridine-3-carboxamide
CID 71451376
N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide
CID 71454920
2-[(3S)-1-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-(3-methylbutylsulfanyl)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 59830755
4-[[5-[(5-Hydroxy-2-adamantyl)carbamoyl]-6-propylsulfanyl-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 58000875
3-[1-[5-[(5-Hydroxy-2-adamantyl)carbamoyl]-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]propanoic acid
CID 59830660
6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5-Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-Carboxamide
CID 70678490
methyl 2-[(3S)-3-[6-cyclopentylsulfanyl-5-[[5-(difluoromethoxy)-2-adamantyl]carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]acetate
CID 67230628

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide (CID 71456704) is N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(C)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is UTOVQHGEYUJTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-3-6-25-19-16(5-4-12(2)21-19)18(23)22-17-14-7-13-8-15(17)11-20(24,9-13)10-14/h4-5,13-15,17,24H,3,6-11H2,1-2H3,(H,22,23).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-methyl-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 3.56, 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)-6-methyl-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71456704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).