5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide

C25H30N6O2 — CID 166065636

IUPAC5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC4(CCN(c5ccc(C(=O)NC)nc5)CC4)C3)cc2[nH]c1=O
InChIInChI=1S/C25H30N6O2/c1-3-18-11-21-22(29-23(18)32)10-17(12-27-21)14-30-15-25(16-30)6-8-31(9-7-25)19-4-5-20(28-13-19)24(33)26-2/h4-5,10-13H,3,6-9,14-16H2,1-2H3,(H,26,33)(H,29,32)
InChIKeyRFJVUEIXGZRLJU-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.34
Rot. Bonds5

About 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide

5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide (PubChem CID 166065636) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide
PubChem CID166065636
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CC4(CCN(c5ccc(C(=O)NC)nc5)CC4)C3)cc2[nH]c1=O
InChIInChI=1S/C25H30N6O2/c1-3-18-11-21-22(29-23(18)32)10-17(12-27-21)14-30-15-25(16-30)6-8-31(9-7-25)19-4-5-20(28-13-19)24(33)26-2/h4-5,10-13H,3,6-9,14-16H2,1-2H3,(H,26,33)(H,29,32)
InChIKeyRFJVUEIXGZRLJU-UHFFFAOYSA-N
XLogP2.34
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide (CID 166065636) is 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC4(CCN(c5ccc(C(=O)NC)nc5)CC4)C3)cc2[nH]c1=O.
What is the InChIKey of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is RFJVUEIXGZRLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-3-18-11-21-22(29-23(18)32)10-17(12-27-21)14-30-15-25(16-30)6-8-31(9-7-25)19-4-5-20(28-13-19)24(33)26-2/h4-5,10-13H,3,6-9,14-16H2,1-2H3,(H,26,33)(H,29,32).
What are the key properties of 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide?
5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166065636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).