N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H31N7O3 — CID 118036450

About N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036450) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036450
• Molecular Formula: C26H31N7O3
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.25
• IUPAC Name: N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN1CCC2(CCN(c3cc(NC(=O)N4CCCc5cc(CO)c(C=O)nc54)ncc3C#N)CC2)C1
• InChI: InChI=1S/C26H31N7O3/c1-31-8-4-26(17-31)5-9-32(10-6-26)22-12-23(28-14-20(22)13-27)30-25(36)33-7-2-3-18-11-19(15-34)21(16-35)29-24(18)33/h11-12,14,16,34H,2-10,15,17H2,1H3,(H,28,30,36)
• InChIKey: PRGFFSYVEQSMPP-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 125.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	2.56
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-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036450) is N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN1CCC2(CCN(c3cc(NC(=O)N4CCCc5cc(CO)c(C=O)nc54)ncc3C#N)CC2)C1.

What is the InChIKey of N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is PRGFFSYVEQSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-31-8-4-26(17-31)5-9-32(10-6-26)22-12-23(28-14-20(22)13-27)30-25(36)33-7-2-3-18-11-19(15-34)21(16-35)29-24(18)33/h11-12,14,16,34H,2-10,15,17H2,1H3,(H,28,30,36).

What are the key properties of N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 2.56, 4 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-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).