3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

C20H16N6O2S — CID 23973371

About 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 23973371) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
• PubChem CID: 23973371
• Molecular Formula: C20H16N6O2S
• Molecular Weight: 404.46 g/mol
• Exact Mass: 404.11
• IUPAC Name: 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
• SMILES: Cc1ccnc(NC(=O)CCSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1
• InChI: InChI=1S/C20H16N6O2S/c1-12-4-6-24-16(9-12)25-17(27)5-8-29-20-14(11-22)18(15-3-2-7-28-15)13(10-21)19(23)26-20/h2-4,6-7,9H,5,8H2,1H3,(H2,23,26)(H,24,25,27)
• InChIKey: LVNPCFGBAVFXOB-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 141.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

The IUPAC name of 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (CID 23973371) is 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1.

What is the InChIKey of 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

The InChIKey is LVNPCFGBAVFXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c1-12-4-6-24-16(9-12)25-17(27)5-8-29-20-14(11-22)18(15-3-2-7-28-15)13(10-21)19(23)26-20/h2-4,6-7,9H,5,8H2,1H3,(H2,23,26)(H,24,25,27).

What are the key properties of 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 404.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23973371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).