3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid

C14H17N3O3 — CID 105062773

IUPAC3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid
SMILESO=C1CCC2CN(c3cnccc3C(=O)O)CCC2N1
InChIInChI=1S/C14H17N3O3/c18-13-2-1-9-8-17(6-4-11(9)16-13)12-7-15-5-3-10(12)14(19)20/h3,5,7,9,11H,1-2,4,6,8H2,(H,16,18)(H,19,20)
InChIKeyFGYRFJGNUWBQJI-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds2

About 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid

3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid (PubChem CID 105062773) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid
PubChem CID105062773
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid
SMILESO=C1CCC2CN(c3cnccc3C(=O)O)CCC2N1
InChIInChI=1S/C14H17N3O3/c18-13-2-1-9-8-17(6-4-11(9)16-13)12-7-15-5-3-10(12)14(19)20/h3,5,7,9,11H,1-2,4,6,8H2,(H,16,18)(H,19,20)
InChIKeyFGYRFJGNUWBQJI-UHFFFAOYSA-N
XLogP0.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-(3-bromo-4-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 104778573
3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carbonitrile
CID 114287772
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 105062852
3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114288669
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
CID 114288777
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 105062780
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114288772
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
CID 114288647
3-(2-ethylthiomorpholin-4-yl)pyridine-4-carboxylic acid
CID 105062840
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 83193225
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168663775

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid (CID 105062773) is 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid is O=C1CCC2CN(c3cnccc3C(=O)O)CCC2N1.
What is the InChIKey of 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid?
The InChIKey is FGYRFJGNUWBQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13-2-1-9-8-17(6-4-11(9)16-13)12-7-15-5-3-10(12)14(19)20/h3,5,7,9,11H,1-2,4,6,8H2,(H,16,18)(H,19,20).
What are the key properties of 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid?
3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 105062773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).