6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one

C13H15N3O — CID 168978283

IUPAC6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
SMILESCC1CCN(c2cnc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C13H15N3O/c1-9-4-5-16(8-9)11-6-10-2-3-12(17)15-13(10)14-7-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,14,15,17)
InChIKeyQJEJGAJMZQACCA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds1

About 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one

6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 168978283) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
PubChem CID168978283
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
SMILESCC1CCN(c2cnc3[nH]c(=O)ccc3c2)C1
InChIInChI=1S/C13H15N3O/c1-9-4-5-16(8-9)11-6-10-2-3-12(17)15-13(10)14-7-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,14,15,17)
InChIKeyQJEJGAJMZQACCA-UHFFFAOYSA-N
XLogP1.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one (CID 168978283) is 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one is CC1CCN(c2cnc3[nH]c(=O)ccc3c2)C1.
What is the InChIKey of 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is QJEJGAJMZQACCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-5-16(8-9)11-6-10-2-3-12(17)15-13(10)14-7-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,14,15,17).
What are the key properties of 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one?
6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 168978283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).