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

C27H29N7O5 — CID 118036560

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

N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036560) has the molecular formula C27H29N7O5 and a molecular weight of 531.57 g/mol. Its IUPAC name is N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036560
• Molecular Formula: C27H29N7O5
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.22
• IUPAC Name: N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)cc1OCC1CCNC(=O)C1
• InChI: InChI=1S/C27H29N7O5/c28-12-20-13-30-23(11-22(20)39-16-17-5-6-29-24(36)9-17)32-27(38)34-8-1-3-18-10-19(21(15-35)31-26(18)34)14-33-7-2-4-25(33)37/h10-11,13,15,17H,1-9,14,16H2,(H,29,36)(H,30,32,38)
• InChIKey: LKAVBDZYLMNKOU-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 157.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.57
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036560) is N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)cc1OCC1CCNC(=O)C1.

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

The InChIKey is LKAVBDZYLMNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O5/c28-12-20-13-30-23(11-22(20)39-16-17-5-6-29-24(36)9-17)32-27(38)34-8-1-3-18-10-19(21(15-35)31-26(18)34)14-33-7-2-4-25(33)37/h10-11,13,15,17H,1-9,14,16H2,(H,29,36)(H,30,32,38).

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

N-[5-cyano-4-[(2-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 531.57 g/mol, XLogP of 2.17, 7 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-oxopiperidin-4-yl)methoxy]-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).