4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid

C18H14Cl2N4O4 — CID 11690310

IUPAC4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NC(=O)CCC(=O)O)nc21
InChIInChI=1S/C18H14Cl2N4O4/c1-24-16-9(8-21-18(23-16)22-13(25)5-6-14(26)27)7-10(17(24)28)15-11(19)3-2-4-12(15)20/h2-4,7-8H,5-6H2,1H3,(H,26,27)(H,21,22,23,25)
InChIKeyZDAGWHBLVTUXEO-UHFFFAOYSA-N
MW421.24 g/mol
LogP3.11
Rot. Bonds5

About 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid

4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid (PubChem CID 11690310) has the molecular formula C18H14Cl2N4O4 and a molecular weight of 421.24 g/mol. Its IUPAC name is 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid
PubChem CID11690310
Molecular FormulaC18H14Cl2N4O4
Molecular Weight421.24 g/mol
Exact Mass420.04
IUPAC Name4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NC(=O)CCC(=O)O)nc21
InChIInChI=1S/C18H14Cl2N4O4/c1-24-16-9(8-21-18(23-16)22-13(25)5-6-14(26)27)7-10(17(24)28)15-11(19)3-2-4-12(15)20/h2-4,7-8H,5-6H2,1H3,(H,26,27)(H,21,22,23,25)
InChIKeyZDAGWHBLVTUXEO-UHFFFAOYSA-N
XLogP3.11
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567
6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfanylphenyl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 46934424
6-(2,6-dichlorophenyl)-2-[3-(1-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53348083
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10006987
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 10596157
2-[4-[(E)-2-aminoethenoxy]anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 90369679
6-(2,6-dichlorophenyl)-2-[3-(ethoxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142857829
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
6-(2,6-dichlorophenyl)-8-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-7-one
CID 10362936
6-(2,6-dichlorophenyl)-2-[4-[2-[ethyl(methyl)amino]ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 167312582
6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]pyrido[2,3-d]pyrimidin-7-one
CID 46186883

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid (CID 11690310) is 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NC(=O)CCC(=O)O)nc21.
What is the InChIKey of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is ZDAGWHBLVTUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O4/c1-24-16-9(8-21-18(23-16)22-13(25)5-6-14(26)27)7-10(17(24)28)15-11(19)3-2-4-12(15)20/h2-4,7-8H,5-6H2,1H3,(H,26,27)(H,21,22,23,25).
What are the key properties of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid?
4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 421.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 11690310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).