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

C25H30N6O4 — CID 118036530

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

6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036530) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036530
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: 6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(=O)N(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(OC(C)C)c(C#N)cn1)CCC2)C(C)C
• InChI: InChI=1S/C25H30N6O4/c1-15(2)31(17(5)33)13-19-9-18-7-6-8-30(24(18)28-21(19)14-32)25(34)29-23-10-22(35-16(3)4)20(11-26)12-27-23/h9-10,12,14-16H,6-8,13H2,1-5H3,(H,27,29,34)
• InChIKey: ONOWRSVLYIIVOM-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	3.69
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(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036530) is 6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

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

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

The InChIKey is ONOWRSVLYIIVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-15(2)31(17(5)33)13-19-9-18-7-6-8-30(24(18)28-21(19)14-32)25(34)29-23-10-22(35-16(3)4)20(11-26)12-27-23/h9-10,12,14-16H,6-8,13H2,1-5H3,(H,27,29,34).

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

6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[acetyl(propan-2-yl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).