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

C28H36N8O4 — CID 134256069

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134256069) has the molecular formula C28H36N8O4 and a molecular weight of 548.65 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]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-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134256069
• Molecular Formula: C28H36N8O4
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.29
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CCN1CCCC1C(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2
• InChI: InChI=1S/C28H36N8O4/c1-4-35-10-6-8-24(35)27(38)34(2)17-20-13-19-7-5-11-36(26(19)32-23(20)18-37)28(39)33-25-14-22(30-9-12-40-3)21(15-29)16-31-25/h13-14,16,18,24H,4-12,17H2,1-3H3,(H2,30,31,33,39)
• InChIKey: KMGPDJRZQZMYQL-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 143.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	2.65
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-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]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-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134256069) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]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-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]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-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCN1CCCC1C(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2.

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

The InChIKey is KMGPDJRZQZMYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O4/c1-4-35-10-6-8-24(35)27(38)34(2)17-20-13-19-7-5-11-36(26(19)32-23(20)18-37)28(39)33-25-14-22(30-9-12-40-3)21(15-29)16-31-25/h13-14,16,18,24H,4-12,17H2,1-3H3,(H2,30,31,33,39).

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 548.65 g/mol, XLogP of 2.65, 10 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-[[(1-ethylpyrrolidine-2-carbonyl)-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134256069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).