1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid

C22H17N3O4 — CID 9319232

IUPAC1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCn1c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17N3O4/c1-24-20(26)18-16(21(27)28)12-17(15-10-6-3-7-11-15)23-19(18)25(22(24)29)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyLVUKPTJQTQJUIC-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.51
Rot. Bonds4

About 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid

1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 9319232) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID9319232
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCn1c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17N3O4/c1-24-20(26)18-16(21(27)28)12-17(15-10-6-3-7-11-15)23-19(18)25(22(24)29)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyLVUKPTJQTQJUIC-UHFFFAOYSA-N
XLogP2.51
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid (CID 9319232) is 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid is Cn1c(=O)c2c(C(=O)O)cc(-c3ccccc3)nc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is LVUKPTJQTQJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-24-20(26)18-16(21(27)28)12-17(15-10-6-3-7-11-15)23-19(18)25(22(24)29)13-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 387.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 9319232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).