ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate

C11H14N2O2 — CID 131559753

IUPACethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)NCCC2
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)8-6-10-9(13-7-8)4-3-5-12-10/h6-7,12H,2-5H2,1H3
InChIKeyAUVYEPXMNBAEFC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.62
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate

ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate (PubChem CID 131559753) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate
PubChem CID131559753
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Nameethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)NCCC2
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)8-6-10-9(13-7-8)4-3-5-12-10/h6-7,12H,2-5H2,1H3
InChIKeyAUVYEPXMNBAEFC-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
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ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
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ethyl 5-(trifluoromethylsulfonyloxy)-7,8-dihydroquinoline-3-carboxylate
CID 86617486
ethyl 5,8-dioxoquinoline-3-carboxylate
CID 11053454
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate (CID 131559753) is ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2c(c1)NCCC2.
What is the InChIKey of ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate?
The InChIKey is AUVYEPXMNBAEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-15-11(14)8-6-10-9(13-7-8)4-3-5-12-10/h6-7,12H,2-5H2,1H3.
What are the key properties of ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate?
ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydro-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 131559753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).