methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate

C14H10N4O4 — CID 6619173

IUPACmethyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C14H10N4O4/c1-22-13(20)9-5-3-7-16-11(9)18-12(19)8-4-2-6-15-10(8)17-14(18)21/h2-7H,1H3,(H,15,17,21)
InChIKeyYKSKWEGIECUNFI-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.26
Rot. Bonds2

About methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate

methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate (PubChem CID 6619173) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate
PubChem CID6619173
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC Namemethyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C14H10N4O4/c1-22-13(20)9-5-3-7-16-11(9)18-12(19)8-4-2-6-15-10(8)17-14(18)21/h2-7H,1H3,(H,15,17,21)
InChIKeyYKSKWEGIECUNFI-UHFFFAOYSA-N
XLogP0.26
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate (CID 6619173) is methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1-n1c(=O)[nH]c2ncccc2c1=O.
What is the InChIKey of methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate?
The InChIKey is YKSKWEGIECUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4/c1-22-13(20)9-5-3-7-16-11(9)18-12(19)8-4-2-6-15-10(8)17-14(18)21/h2-7H,1H3,(H,15,17,21).
What are the key properties of methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate?
methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate has a molecular weight of 298.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 6619173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).