2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

C17H23N3O3 — CID 66885650

IUPAC2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2nc(O[C@@H]3CCN(C4CCC4)C3)ccc2C1
InChIInChI=1S/C17H23N3O3/c21-17(22)20-9-7-15-12(10-20)4-5-16(18-15)23-14-6-8-19(11-14)13-2-1-3-13/h4-5,13-14H,1-3,6-11H2,(H,21,22)/t14-/m1/s1
InChIKeyXWRJWFWSMNLARZ-CQSZACIVSA-N
MW317.39 g/mol
LogP2.12
Rot. Bonds3

About 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (PubChem CID 66885650) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
PubChem CID66885650
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2nc(O[C@@H]3CCN(C4CCC4)C3)ccc2C1
InChIInChI=1S/C17H23N3O3/c21-17(22)20-9-7-15-12(10-20)4-5-16(18-15)23-14-6-8-19(11-14)13-2-1-3-13/h4-5,13-14H,1-3,6-11H2,(H,21,22)/t14-/m1/s1
InChIKeyXWRJWFWSMNLARZ-CQSZACIVSA-N
XLogP2.12
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The IUPAC name of 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (CID 66885650) is 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The canonical SMILES for 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is O=C(O)N1CCc2nc(O[C@@H]3CCN(C4CCC4)C3)ccc2C1.
What is the InChIKey of 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The InChIKey is XWRJWFWSMNLARZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(22)20-9-7-15-12(10-20)4-5-16(18-15)23-14-6-8-19(11-14)13-2-1-3-13/h4-5,13-14H,1-3,6-11H2,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 66885650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).