N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C₂₆H₂₇N₇O₅ — CID 162702719

About N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 162702719) has the molecular formula C₂₆H₂₇N₇O₅ and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 162702719
• Molecular Formula: C₂₆H₂₇N₇O₅
• Molecular Weight: 517.55 g/mol
• Exact Mass: 517.21
• IUPAC Name: N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4COC4)c(C#N)cn2)CCC3)C1=C=O
• InChI: InChI=1S/C26H27N7O5/c1-37-23-4-6-32(22(23)13-35)11-17-7-16-3-2-5-33(25(16)30-21(17)12-34)26(36)31-24-8-20(18(9-27)10-28-24)29-19-14-38-15-19/h7-8,10,12,19,23H,2-6,11,14-15H2,1H3,(H2,28,29,31,36)
• InChIKey: SLGJYMHUBFJSIM-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 149.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.55
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 162702719) is N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4COC4)c(C#N)cn2)CCC3)C1=C=O.

What is the InChIKey of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is SLGJYMHUBFJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O5/c1-37-23-4-6-32(22(23)13-35)11-17-7-16-3-2-5-33(25(16)30-21(17)12-34)26(36)31-24-8-20(18(9-27)10-28-24)29-19-14-38-15-19/h7-8,10,12,19,23H,2-6,11,14-15H2,1H3,(H2,28,29,31,36).

What are the key properties of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 517.55 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 162702719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162702719 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.