(2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide

C17H28N2O2S — CID 67800421

IUPAC(2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide
SMILESCCCCCCCC[C@@H](O)C(=O)Nc1cnc(C)cc1SC
InChIInChI=1S/C17H28N2O2S/c1-4-5-6-7-8-9-10-15(20)17(21)19-14-12-18-13(2)11-16(14)22-3/h11-12,15,20H,4-10H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyXQSCLADNBKNUEL-OAHLLOKOSA-N
MW324.49 g/mol
LogP4.16
Rot. Bonds10

About (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide

(2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide (PubChem CID 67800421) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide
PubChem CID67800421
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name(2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide
SMILESCCCCCCCC[C@@H](O)C(=O)Nc1cnc(C)cc1SC
InChIInChI=1S/C17H28N2O2S/c1-4-5-6-7-8-9-10-15(20)17(21)19-14-12-18-13(2)11-16(14)22-3/h11-12,15,20H,4-10H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyXQSCLADNBKNUEL-OAHLLOKOSA-N
XLogP4.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
2-methyl-N-[2-[[2-(2-methylundecanoylamino)phenyl]disulfanyl]phenyl]undecanamide
CID 57116569
2-hydroxy-1-(3-methylphenyl)nonan-1-one
CID 70534540
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexylsulfanyldecanamide
CID 19027774
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-thiophen-2-yloctanamide
CID 67745725
(2R)-2-hexyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]decanethioamide
CID 54207684
2-hydroxy-N-(2-hydroxyacetyl)icosanamide
CID 141107513
(4R)-4-hydroxy-3-methylideneundecan-2-one
CID 102477580
2-heptyl-N-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]nonanamide
CID 19027843
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
strontium bis(2-hydroxytetradecanoate)
CID 19990057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide?
The IUPAC name of (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide (CID 67800421) is (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide?
The canonical SMILES for (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide is CCCCCCCC[C@@H](O)C(=O)Nc1cnc(C)cc1SC.
What is the InChIKey of (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide?
The InChIKey is XQSCLADNBKNUEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-4-5-6-7-8-9-10-15(20)17(21)19-14-12-18-13(2)11-16(14)22-3/h11-12,15,20H,4-10H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide?
(2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide has a molecular weight of 324.49 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(6-methyl-4-methylsulfanyl-3-pyridinyl)decanamide is sourced from PubChem (CID 67800421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).