methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

C23H20N4O4 — CID 131841902

IUPACmethyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(C)cc2C)c1=O
InChIInChI=1S/C23H20N4O4/c1-14-8-9-16(15(2)12-14)13-26-19-17(6-4-10-24-19)21(28)27(23(26)30)20-18(22(29)31-3)7-5-11-25-20/h4-12H,13H2,1-3H3
InChIKeyGMOXBLSNELCUBG-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (PubChem CID 131841902) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
PubChem CID131841902
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Namemethyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(C)cc2C)c1=O
InChIInChI=1S/C23H20N4O4/c1-14-8-9-16(15(2)12-14)13-26-19-17(6-4-10-24-19)21(28)27(23(26)30)20-18(22(29)31-3)7-5-11-25-20/h4-12H,13H2,1-3H3
InChIKeyGMOXBLSNELCUBG-UHFFFAOYSA-N
XLogP2.39
TPSA96.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (CID 131841902) is methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(C)cc2C)c1=O.
What is the InChIKey of methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The InChIKey is GMOXBLSNELCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14-8-9-16(15(2)12-14)13-26-19-17(6-4-10-24-19)21(28)27(23(26)30)20-18(22(29)31-3)7-5-11-25-20/h4-12H,13H2,1-3H3.
What are the key properties of methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate has a molecular weight of 416.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2,4-dimethylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 131841902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).