ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate

C16H13N3O3 — CID 12972530

IUPACethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cccnc2)c2ncccc2c1=O
InChIInChI=1S/C16H13N3O3/c1-2-22-16(21)13-10-19(11-5-3-7-17-9-11)15-12(14(13)20)6-4-8-18-15/h3-10H,2H2,1H3
InChIKeyZCNYBOZJXOSSDY-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.96
Rot. Bonds3

About ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate

ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 12972530) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
PubChem CID12972530
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Nameethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cccnc2)c2ncccc2c1=O
InChIInChI=1S/C16H13N3O3/c1-2-22-16(21)13-10-19(11-5-3-7-17-9-11)15-12(14(13)20)6-4-8-18-15/h3-10H,2H2,1H3
InChIKeyZCNYBOZJXOSSDY-UHFFFAOYSA-N
XLogP1.96
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3-ethynylphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11659719
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598
ethyl 1-(3-ethynylphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 1-[3-[2-(1-hydroxypyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxylate
CID 160692055
ethyl 1-(4-aminocyclohexyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70240562
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
ethyl 4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]benzoate
CID 69158388
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
ethyl 2-(2-methoxyethylamino)-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583605
1-(4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 70011453
1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
CID 70012845
1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 12991318
ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
CID 139840840

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate (CID 12972530) is ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2cccnc2)c2ncccc2c1=O.
What is the InChIKey of ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZCNYBOZJXOSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-2-22-16(21)13-10-19(11-5-3-7-17-9-11)15-12(14(13)20)6-4-8-18-15/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate?
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12972530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).