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

C26H34N8O4 — CID 118036348

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036348) has the molecular formula C26H34N8O4 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036348
• Molecular Formula: C26H34N8O4
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.27
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(=O)CN(C)C
• InChI: InChI=1S/C26H34N8O4/c1-5-33(24(36)16-32(2)3)15-19-11-18-7-6-9-34(25(18)30-22(19)17-35)26(37)31-23-12-21(28-8-10-38-4)20(13-27)14-29-23/h11-12,14,17H,5-10,15-16H2,1-4H3,(H2,28,29,31,37)
• InChIKey: QWOQTRDAKYPINL-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 143.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036348) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(=O)CN(C)C.

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

The InChIKey is QWOQTRDAKYPINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O4/c1-5-33(24(36)16-32(2)3)15-19-11-18-7-6-9-34(25(18)30-22(19)17-35)26(37)31-23-12-21(28-8-10-38-4)20(13-27)14-29-23/h11-12,14,17H,5-10,15-16H2,1-4H3,(H2,28,29,31,37).

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 522.61 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).