N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane

C25H31N7O5 — CID 142284799

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane (PubChem CID 142284799) has the molecular formula C25H31N7O5 and a molecular weight of 509.57 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane
• PubChem CID: 142284799
• Molecular Formula: C25H31N7O5
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.24
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane
• SMILES: C1CCOC1.COCCNc1cc(NC(=O)N2CCCc3cc(CNC=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C21H23N7O4.C4H8O/c1-32-6-4-24-17-8-19(25-11-16(17)9-22)27-21(31)28-5-2-3-14-7-15(10-23-13-30)18(12-29)26-20(14)28;1-2-4-5-3-1/h7-8,11-13H,2-6,10H2,1H3,(H,23,30)(H2,24,25,27,31);1-4H2
• InChIKey: SEKVIWWPQFMJGL-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 158.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
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-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane?

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane (CID 142284799) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane is C1CCOC1.COCCNc1cc(NC(=O)N2CCCc3cc(CNC=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is SEKVIWWPQFMJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4.C4H8O/c1-32-6-4-24-17-8-19(25-11-16(17)9-22)27-21(31)28-5-2-3-14-7-15(10-23-13-30)18(12-29)26-20(14)28;1-2-4-5-3-1/h7-8,11-13H,2-6,10H2,1H3,(H,23,30)(H2,24,25,27,31);1-4H2.

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane has a molecular weight of 509.57 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 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-(formamidomethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;oxolane is sourced from PubChem (CID 142284799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).