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

C21H18N6OS2 — CID 23743206

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

2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide (PubChem CID 23743206) has the molecular formula C21H18N6OS2 and a molecular weight of 434.55 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide.

Molecular Properties

• Compound Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
• PubChem CID: 23743206
• Molecular Formula: C21H18N6OS2
• Molecular Weight: 434.55 g/mol
• Exact Mass: 434.10
• IUPAC Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
• SMILES: CCC(Sc1nc(N)c(C#N)c(-c2cccs2)c1C#N)C(=O)Nc1cc(C)ccn1
• InChI: InChI=1S/C21H18N6OS2/c1-3-15(20(28)26-17-9-12(2)6-7-25-17)30-21-14(11-23)18(16-5-4-8-29-16)13(10-22)19(24)27-21/h4-9,15H,3H2,1-2H3,(H2,24,27)(H,25,26,28)
• InChIKey: VXPKGQMCANIDPP-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 128.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.55
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide (CID 23743206) is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide.

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

The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide is CCC(Sc1nc(N)c(C#N)c(-c2cccs2)c1C#N)C(=O)Nc1cc(C)ccn1.

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

The InChIKey is VXPKGQMCANIDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS2/c1-3-15(20(28)26-17-9-12(2)6-7-25-17)30-21-14(11-23)18(16-5-4-8-29-16)13(10-22)19(24)27-21/h4-9,15H,3H2,1-2H3,(H2,24,27)(H,25,26,28).

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

2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide has a molecular weight of 434.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 23743206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).