2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide

C24H23N5O2S — CID 55423113

About 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide

2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 55423113) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
• PubChem CID: 55423113
• Molecular Formula: C24H23N5O2S
• Molecular Weight: 445.55 g/mol
• Exact Mass: 445.16
• IUPAC Name: 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
• SMILES: Cc1cccc(C)c1NC(=O)C(C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N
• InChI: InChI=1S/C24H23N5O2S/c1-14-8-7-9-15(2)20(14)28-22(30)16(3)32-24-17(13-25)12-19(21(26)29-24)23(31)27-18-10-5-4-6-11-18/h4-12,16H,1-3H3,(H2,26,29)(H,27,31)(H,28,30)
• InChIKey: OAONKXMUAVBREM-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 120.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.55
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?

The IUPAC name of 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide (CID 55423113) is 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide.

What is the SMILES notation for 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?

The canonical SMILES for 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)C(C)Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N.

What is the InChIKey of 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?

The InChIKey is OAONKXMUAVBREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-14-8-7-9-15(2)20(14)28-22(30)16(3)32-24-17(13-25)12-19(21(26)29-24)23(31)27-18-10-5-4-6-11-18/h4-12,16H,1-3H3,(H2,26,29)(H,27,31)(H,28,30).

What are the key properties of 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?

2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 55423113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).