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

C25H31N7O4 — CID 118036752

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036752) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036752
• Molecular Formula: C25H31N7O4
• Molecular Weight: 493.57 g/mol
• Exact Mass: 493.24
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C(C)C)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C25H31N7O4/c1-16(2)24(34)31(3)14-18-10-17-6-5-8-32(23(17)29-21(18)15-33)25(35)30-22-11-20(27-7-9-36-4)19(12-26)13-28-22/h10-11,13,15-16H,5-9,14H2,1-4H3,(H2,27,28,30,35)
• InChIKey: UKJUYQHJGNWARG-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 140.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.57
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036752) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C(C)C)c(C=O)nc32)ncc1C#N.

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

The InChIKey is UKJUYQHJGNWARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-16(2)24(34)31(3)14-18-10-17-6-5-8-32(23(17)29-21(18)15-33)25(35)30-22-11-20(27-7-9-36-4)19(12-26)13-28-22/h10-11,13,15-16H,5-9,14H2,1-4H3,(H2,27,28,30,35).

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[methyl(2-methylpropanoyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).