ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate

C18H18N4O5 — CID 4784441

IUPACethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)[nH]c(=O)n2CCOC
InChIInChI=1S/C18H18N4O5/c1-3-27-17(24)11-10-13(12-6-4-5-7-19-12)20-15-14(11)16(23)21-18(25)22(15)8-9-26-2/h4-7,10H,3,8-9H2,1-2H3,(H,21,23,25)
InChIKeyGKTXPZHLQMZQPY-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.97
Rot. Bonds6

About ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 4784441) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID4784441
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Nameethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)[nH]c(=O)n2CCOC
InChIInChI=1S/C18H18N4O5/c1-3-27-17(24)11-10-13(12-6-4-5-7-19-12)20-15-14(11)16(23)21-18(25)22(15)8-9-26-2/h4-7,10H,3,8-9H2,1-2H3,(H,21,23,25)
InChIKeyGKTXPZHLQMZQPY-UHFFFAOYSA-N
XLogP0.97
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 4784441) is ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)[nH]c(=O)n2CCOC.
What is the InChIKey of ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is GKTXPZHLQMZQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-3-27-17(24)11-10-13(12-6-4-5-7-19-12)20-15-14(11)16(23)21-18(25)22(15)8-9-26-2/h4-7,10H,3,8-9H2,1-2H3,(H,21,23,25).
What are the key properties of ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 370.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethyl)-2,4-dioxo-7-pyridin-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 4784441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).