2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C17H22N4O2S — CID 8679269

IUPAC2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1
InChIInChI=1S/C17H22N4O2S/c1-6-21(9-11(2)3)14(22)10-24-16-13(8-19)17(4,5)12(7-18)15(23)20-16/h12H,2,6,9-10H2,1,3-5H3,(H,20,23)/t12-/m1/s1
InChIKeyPUVJZHWJWNFNSG-GFCCVEGCSA-N
MW346.46 g/mol
LogP2.18
Rot. Bonds6

About 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 8679269) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID8679269
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1
InChIInChI=1S/C17H22N4O2S/c1-6-21(9-11(2)3)14(22)10-24-16-13(8-19)17(4,5)12(7-18)15(23)20-16/h12H,2,6,9-10H2,1,3-5H3,(H,20,23)/t12-/m1/s1
InChIKeyPUVJZHWJWNFNSG-GFCCVEGCSA-N
XLogP2.18
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 8679269) is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1.
What is the InChIKey of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is PUVJZHWJWNFNSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-6-21(9-11(2)3)14(22)10-24-16-13(8-19)17(4,5)12(7-18)15(23)20-16/h12H,2,6,9-10H2,1,3-5H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 8679269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).