methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate

C18H17N3O4 — CID 56737845

IUPACmethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C
InChIInChI=1S/C18H17N3O4/c1-11-13(17(23)25-2)10-14-15(19-11)21(18(24)20-16(14)22)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,20,22,24)
InChIKeyCGPTYIOYWQRJRM-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.42
Rot. Bonds4

About methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate

methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 56737845) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID56737845
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C
InChIInChI=1S/C18H17N3O4/c1-11-13(17(23)25-2)10-14-15(19-11)21(18(24)20-16(14)22)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,20,22,24)
InChIKeyCGPTYIOYWQRJRM-UHFFFAOYSA-N
XLogP1.42
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate (CID 56737845) is methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C.
What is the InChIKey of methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CGPTYIOYWQRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-13(17(23)25-2)10-14-15(19-11)21(18(24)20-16(14)22)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,20,22,24).
What are the key properties of methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 56737845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).