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

C18H26N4O2S — CID 8807084

IUPAC2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1
InChIInChI=1S/C18H26N4O2S/c1-5-6-7-8-12(2)21-15(23)11-25-17-14(10-20)18(3,4)13(9-19)16(24)22-17/h12-13H,5-8,11H2,1-4H3,(H,21,23)(H,22,24)/t12-,13-/m1/s1
InChIKeyFEFFSQYOHLPIII-CHWSQXEVSA-N
MW362.50 g/mol
LogP2.84
Rot. Bonds8

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

2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide (PubChem CID 8807084) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide
PubChem CID8807084
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1
InChIInChI=1S/C18H26N4O2S/c1-5-6-7-8-12(2)21-15(23)11-25-17-14(10-20)18(3,4)13(9-19)16(24)22-17/h12-13H,5-8,11H2,1-4H3,(H,21,23)(H,22,24)/t12-,13-/m1/s1
InChIKeyFEFFSQYOHLPIII-CHWSQXEVSA-N
XLogP2.84
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8807074
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7613760
2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8806834
N-benzyl-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide
CID 7613641
N'-[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetyl]benzohydrazide
CID 7613983
N-[(4-chlorophenyl)methyl]-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide
CID 7613685
2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7613767
N-(2-benzylsulfanylethyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide
CID 7637290
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide
CID 8679246
(2R)-N-(4-acetamidophenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 7613861
(3S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile
CID 7637009
(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8806826

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-[(2R)-heptan-2-yl]acetamide?
The IUPAC name of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide (CID 8807084) is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide.
What is the SMILES notation for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide?
The canonical SMILES for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide is CCCCC[C@@H](C)NC(=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-[(2R)-heptan-2-yl]acetamide?
The InChIKey is FEFFSQYOHLPIII-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-5-6-7-8-12(2)21-15(23)11-25-17-14(10-20)18(3,4)13(9-19)16(24)22-17/h12-13H,5-8,11H2,1-4H3,(H,21,23)(H,22,24)/t12-,13-/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-[(2R)-heptan-2-yl]acetamide?
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2R)-heptan-2-yl]acetamide has a molecular weight of 362.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 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-[(2R)-heptan-2-yl]acetamide is sourced from PubChem (CID 8807084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).