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

C16H14N4O3 — CID 21497074

IUPACethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C)c2nc(-c3ccncc3)ncc2c1=O
InChIInChI=1S/C16H14N4O3/c1-3-23-16(22)12-9-20(2)15-11(13(12)21)8-18-14(19-15)10-4-6-17-7-5-10/h4-9H,3H2,1-2H3
InChIKeyZEFVJOUWOQBCID-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.57
Rot. Bonds3

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

ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 21497074) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID21497074
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Nameethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C)c2nc(-c3ccncc3)ncc2c1=O
InChIInChI=1S/C16H14N4O3/c1-3-23-16(22)12-9-20(2)15-11(13(12)21)8-18-14(19-15)10-4-6-17-7-5-10/h4-9H,3H2,1-2H3
InChIKeyZEFVJOUWOQBCID-UHFFFAOYSA-N
XLogP1.57
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 11741701
ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54383342
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1419083
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
1-[2-(5-amino-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanone
CID 150112369
[6-ethoxycarbonyl-5-oxo-8-(pyridin-4-ylmethyl)-1,8-naphthyridin-3-yl]boronic acid
CID 140943983
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 21497074) is ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cn(C)c2nc(-c3ccncc3)ncc2c1=O.
What is the InChIKey of ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZEFVJOUWOQBCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-3-23-16(22)12-9-20(2)15-11(13(12)21)8-18-14(19-15)10-4-6-17-7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 21497074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).