2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine

C17H19N3OS2 — CID 170312059

IUPAC2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
SMILESC=CCNC(=O)C(=C)C.c1ccc(SSc2ccccn2)nc1
InChIInChI=1S/C10H8N2S2.C7H11NO/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;1-4-5-8-7(9)6(2)3/h1-8H;4H,1-2,5H2,3H3,(H,8,9)
InChIKeyXYXUOTJRWUXACI-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.14
Rot. Bonds6

About 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine

2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine (PubChem CID 170312059) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
PubChem CID170312059
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC Name2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
SMILESC=CCNC(=O)C(=C)C.c1ccc(SSc2ccccn2)nc1
InChIInChI=1S/C10H8N2S2.C7H11NO/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;1-4-5-8-7(9)6(2)3/h1-8H;4H,1-2,5H2,3H3,(H,8,9)
InChIKeyXYXUOTJRWUXACI-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
3-oxo-N-prop-2-enyl-2-(pyridin-2-ylmethyl)prop-2-enamide
CID 57265204
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
CID 174994599
(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
CID 3033129
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
[prop-2-enoxycarbonyl(pyridin-2-ylsulfanyl)amino]carbamic acid
CID 88728705
2-(but-3-enyldisulfanyl)pyridine
CID 89193061
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
The IUPAC name of 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine (CID 170312059) is 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine.
What is the SMILES notation for 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
The canonical SMILES for 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine is C=CCNC(=O)C(=C)C.c1ccc(SSc2ccccn2)nc1.
What is the InChIKey of 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
The InChIKey is XYXUOTJRWUXACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2.C7H11NO/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;1-4-5-8-7(9)6(2)3/h1-8H;4H,1-2,5H2,3H3,(H,8,9).
What are the key properties of 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine has a molecular weight of 345.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine is sourced from PubChem (CID 170312059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).