6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C23H26N6O3S — CID 91754685

About 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 91754685) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 91754685
• Molecular Formula: C23H26N6O3S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.18
• IUPAC Name: 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(SC(C)C)c(C#N)cn1)CCC2
• InChI: InChI=1S/C23H26N6O3S/c1-14(2)33-20-9-21(25-11-18(20)10-24)27-23(32)29-7-5-6-16-8-17(12-28(4)15(3)31)19(13-30)26-22(16)29/h8-9,11,13-14H,5-7,12H2,1-4H3,(H,25,27,32)
• InChIKey: YJWCAZSHQCOGDJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 119.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 91754685) is 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(SC(C)C)c(C#N)cn1)CCC2.

What is the InChIKey of 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is YJWCAZSHQCOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-14(2)33-20-9-21(25-11-18(20)10-24)27-23(32)29-7-5-6-16-8-17(12-28(4)15(3)31)19(13-30)26-22(16)29/h8-9,11,13-14H,5-7,12H2,1-4H3,(H,25,27,32).

What are the key properties of 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-ylsulfanyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 91754685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).