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

C24H28N6O4 — CID 118036253

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

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036253) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-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-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036253
• Molecular Formula: C24H28N6O4
• Molecular Weight: 464.53 g/mol
• Exact Mass: 464.22
• IUPAC Name: 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-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(OCC(C)C)c(C#N)cn1)CCC2
• InChI: InChI=1S/C24H28N6O4/c1-15(2)14-34-21-9-22(26-11-19(21)10-25)28-24(33)30-7-5-6-17-8-18(12-29(4)16(3)32)20(13-31)27-23(17)30/h8-9,11,13,15H,5-7,12,14H2,1-4H3,(H,26,28,33)
• InChIKey: GMIDYGBKHDARMO-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.53
LogP ≤ 5	3.16
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-(2-methylpropoxy)-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-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036253) is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-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-(2-methylpropoxy)-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-(2-methylpropoxy)-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(OCC(C)C)c(C#N)cn1)CCC2.

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

The InChIKey is GMIDYGBKHDARMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15(2)14-34-21-9-22(26-11-19(21)10-25)28-24(33)30-7-5-6-17-8-18(12-29(4)16(3)32)20(13-31)27-23(17)30/h8-9,11,13,15H,5-7,12,14H2,1-4H3,(H,26,28,33).

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

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 3.16, 7 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-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).