ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate

C17H16N4O3 — CID 12847897

IUPACethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(-c3ccncc3)ncc2c1=O
InChIInChI=1S/C17H16N4O3/c1-3-21-10-13(17(23)24-4-2)14(22)12-9-19-15(20-16(12)21)11-5-7-18-8-6-11/h5-10H,3-4H2,1-2H3
InChIKeyAYWNTESUBXBXCH-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.05
Rot. Bonds4

About ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 12847897) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID12847897
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Nameethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(-c3ccncc3)ncc2c1=O
InChIInChI=1S/C17H16N4O3/c1-3-21-10-13(17(23)24-4-2)14(22)12-9-19-15(20-16(12)21)11-5-7-18-8-6-11/h5-10H,3-4H2,1-2H3
InChIKeyAYWNTESUBXBXCH-UHFFFAOYSA-N
XLogP2.05
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 21497074
8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 21497087
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
ethyl 1-ethyl-7-(3-methyl-4-pyridinyl)-4-oxoquinoline-3-carboxylate
CID 13402590
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
[6-ethoxycarbonyl-5-oxo-8-(pyridin-4-ylmethyl)-1,8-naphthyridin-3-yl]boronic acid
CID 140943983
imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 102083348
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 12847897) is ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cn(CC)c2nc(-c3ccncc3)ncc2c1=O.
What is the InChIKey of ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is AYWNTESUBXBXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-3-21-10-13(17(23)24-4-2)14(22)12-9-19-15(20-16(12)21)11-5-7-18-8-6-11/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 12847897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).