methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

C25H23N5O5 — CID 15988261

IUPACmethyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C25H23N5O5/c1-14-11-15(2)20(16(3)12-14)28-19(31)13-29-21-17(7-5-9-26-21)23(32)30(25(29)34)22-18(24(33)35-4)8-6-10-27-22/h5-12H,13H2,1-4H3,(H,28,31)
InChIKeyJMNIJJMCLSOAML-UHFFFAOYSA-N
MW473.49 g/mol
LogP2.29
Rot. Bonds5

About methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (PubChem CID 15988261) has the molecular formula C25H23N5O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
PubChem CID15988261
Molecular FormulaC25H23N5O5
Molecular Weight473.49 g/mol
Exact Mass473.17
IUPAC Namemethyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C25H23N5O5/c1-14-11-15(2)20(16(3)12-14)28-19(31)13-29-21-17(7-5-9-26-21)23(32)30(25(29)34)22-18(24(33)35-4)8-6-10-27-22/h5-12H,13H2,1-4H3,(H,28,31)
InChIKeyJMNIJJMCLSOAML-UHFFFAOYSA-N
XLogP2.29
TPSA125.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (CID 15988261) is methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O.
What is the InChIKey of methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The InChIKey is JMNIJJMCLSOAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5/c1-14-11-15(2)20(16(3)12-14)28-19(31)13-29-21-17(7-5-9-26-21)23(32)30(25(29)34)22-18(24(33)35-4)8-6-10-27-22/h5-12H,13H2,1-4H3,(H,28,31).
What are the key properties of methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate has a molecular weight of 473.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 15988261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).