ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate

C13H14N2O3 — CID 134913204

IUPACethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(CC)cncc2c(=O)[nH]1
InChIInChI=1S/C13H14N2O3/c1-3-8-6-14-7-10-9(8)5-11(15-12(10)16)13(17)18-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyYYUJHUUPGHMJKM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.66
Rot. Bonds3

About ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate

ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate (PubChem CID 134913204) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate
PubChem CID134913204
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(CC)cncc2c(=O)[nH]1
InChIInChI=1S/C13H14N2O3/c1-3-8-6-14-7-10-9(8)5-11(15-12(10)16)13(17)18-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyYYUJHUUPGHMJKM-UHFFFAOYSA-N
XLogP1.66
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SG 209
CID 134230
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(Z)-2-Benzoylamino-3-pyridin-3-yl-acrylic acid methyl ester
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(Z)-2-Benzoylamino-3-pyridin-3-yl-acrylic acid isopropyl ester
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methyl (2S)-2-(pyridine-3-carbonylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate (CID 134913204) is ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(CC)cncc2c(=O)[nH]1.
What is the InChIKey of ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate?
The InChIKey is YYUJHUUPGHMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-8-6-14-7-10-9(8)5-11(15-12(10)16)13(17)18-4-2/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate?
ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-1-oxo-2H-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 134913204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).