methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate

C21H16N4O4 — CID 67862933

IUPACmethyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1-n1c(=O)n(Cc2ccccn2)c(=O)c2cccnc21
InChIInChI=1S/C21H16N4O4/c1-29-20(27)15-8-2-3-10-17(15)25-18-16(9-6-12-23-18)19(26)24(21(25)28)13-14-7-4-5-11-22-14/h2-12H,13H2,1H3
InChIKeyKKZGERNTOSXRMZ-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.78
Rot. Bonds4

About methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate

methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate (PubChem CID 67862933) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate
PubChem CID67862933
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC Namemethyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1-n1c(=O)n(Cc2ccccn2)c(=O)c2cccnc21
InChIInChI=1S/C21H16N4O4/c1-29-20(27)15-8-2-3-10-17(15)25-18-16(9-6-12-23-18)19(26)24(21(25)28)13-14-7-4-5-11-22-14/h2-12H,13H2,1H3
InChIKeyKKZGERNTOSXRMZ-UHFFFAOYSA-N
XLogP1.78
TPSA96.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate with MolForge

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Related Compounds

2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzamide
CID 67862947
methyl 3-[3-[(5-methyl-2-pyridinyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 67862096
1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250672
methyl 2-[[2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 121026409
methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10016832
1-(2,4-dimethylphenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 67862526
methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
CID 11608760
methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate
CID 95917068
methyl 5-chloro-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxylate
CID 59362505
3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)-7H-purine-2,6-dione
CID 175928852
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
methyl 2-[[2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]benzoate
CID 53007349

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate?
The IUPAC name of methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate (CID 67862933) is methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate?
The canonical SMILES for methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate is COC(=O)c1ccccc1-n1c(=O)n(Cc2ccccn2)c(=O)c2cccnc21.
What is the InChIKey of methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate?
The InChIKey is KKZGERNTOSXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c1-29-20(27)15-8-2-3-10-17(15)25-18-16(9-6-12-23-18)19(26)24(21(25)28)13-14-7-4-5-11-22-14/h2-12H,13H2,1H3.
What are the key properties of methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate?
methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate has a molecular weight of 388.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate is sourced from PubChem (CID 67862933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).