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

C26H31N7O4 — CID 118036398

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

6-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036398) has the molecular formula C26H31N7O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is 6-[(4-acetylpiperazin-1-yl)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-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036398
• Molecular Formula: C26H31N7O4
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.24
• IUPAC Name: 6-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(=O)N1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(OC(C)C)c(C#N)cn2)CCC3)CC1
• InChI: InChI=1S/C26H31N7O4/c1-17(2)37-23-12-24(28-14-21(23)13-27)30-26(36)33-6-4-5-19-11-20(22(16-34)29-25(19)33)15-31-7-9-32(10-8-31)18(3)35/h11-12,14,16-17H,4-10,15H2,1-3H3,(H,28,30,36)
• InChIKey: RPSFHUYAUBUYOC-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 131.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-acetylpiperazin-1-yl)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-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036398) is 6-[(4-acetylpiperazin-1-yl)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-[(4-acetylpiperazin-1-yl)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-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)N1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(OC(C)C)c(C#N)cn2)CCC3)CC1.

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

The InChIKey is RPSFHUYAUBUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O4/c1-17(2)37-23-12-24(28-14-21(23)13-27)30-26(36)33-6-4-5-19-11-20(22(16-34)29-25(19)33)15-31-7-9-32(10-8-31)18(3)35/h11-12,14,16-17H,4-10,15H2,1-3H3,(H,28,30,36).

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

6-[(4-acetylpiperazin-1-yl)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 505.58 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-acetylpiperazin-1-yl)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 118036398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).