N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H30N6O5 — CID 158713069

About N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158713069) has the molecular formula C27H30N6O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158713069
• Molecular Formula: C27H30N6O5
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.23
• IUPAC Name: N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCCc1cc(NC(=O)N2CCCc3cc(CN4C(=O)COCC45CC5)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C27H30N6O5/c1-37-9-3-5-18-11-23(29-13-21(18)12-28)31-26(36)32-8-2-4-19-10-20(22(15-34)30-25(19)32)14-33-24(35)16-38-17-27(33)6-7-27/h10-11,13,15H,2-9,14,16-17H2,1H3,(H,29,31,36)
• InChIKey: IIYVPCQGWMEMMU-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 137.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
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-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158713069) is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCCc1cc(NC(=O)N2CCCc3cc(CN4C(=O)COCC45CC5)c(C=O)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is IIYVPCQGWMEMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5/c1-37-9-3-5-18-11-23(29-13-21(18)12-28)31-26(36)32-8-2-4-19-10-20(22(15-34)30-25(19)32)14-33-24(35)16-38-17-27(33)6-7-27/h10-11,13,15H,2-9,14,16-17H2,1H3,(H,29,31,36).

What are the key properties of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 518.57 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158713069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).