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

C19H28N4O2S — CID 8807074

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

2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide (PubChem CID 8807074) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide
• PubChem CID: 8807074
• Molecular Formula: C19H28N4O2S
• Molecular Weight: 376.53 g/mol
• Exact Mass: 376.19
• IUPAC Name: 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide
• SMILES: CC(C)CCC[C@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1
• InChI: InChI=1S/C19H28N4O2S/c1-12(2)7-6-8-13(3)22-16(24)11-26-18-15(10-21)19(4,5)14(9-20)17(25)23-18/h12-14H,6-8,11H2,1-5H3,(H,22,24)(H,23,25)/t13-,14+/m0/s1
• InChIKey: OSSYQVIEEWRTOX-UONOGXRCSA-N
• XLogP: 3.08
• TPSA: 105.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.53
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[(2S)-6-methylheptan-2-yl]acetamide?

The IUPAC name of 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) is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-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-[(2S)-6-methylheptan-2-yl]acetamide?

The canonical SMILES for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide is CC(C)CCC[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-[(2S)-6-methylheptan-2-yl]acetamide?

The InChIKey is OSSYQVIEEWRTOX-UONOGXRCSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-12(2)7-6-8-13(3)22-16(24)11-26-18-15(10-21)19(4,5)14(9-20)17(25)23-18/h12-14H,6-8,11H2,1-5H3,(H,22,24)(H,23,25)/t13-,14+/m0/s1.

What are the key properties of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide?

2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide has a molecular weight of 376.53 g/mol, XLogP of 3.08, 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-[(2S)-6-methylheptan-2-yl]acetamide is sourced from PubChem (CID 8807074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).