prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

C18H17N3O4 — CID 91896161

IUPACprop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESC=CCOC(=O)C1C(C)=Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-3-9-25-17(23)12-10(2)19-15-14(16(22)21-18(24)20-15)13(12)11-7-5-4-6-8-11/h3-8,12-13H,1,9H2,2H3,(H2,20,21,22,24)
InChIKeySWEAHLXDFCYSCV-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.65
Rot. Bonds4

About prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91896161) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID91896161
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameprop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESC=CCOC(=O)C1C(C)=Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-3-9-25-17(23)12-10(2)19-15-14(16(22)21-18(24)20-15)13(12)11-7-5-4-6-8-11/h3-8,12-13H,1,9H2,2H3,(H2,20,21,22,24)
InChIKeySWEAHLXDFCYSCV-UHFFFAOYSA-N
XLogP1.65
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 91896161) is prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is C=CCOC(=O)C1C(C)=Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1.
What is the InChIKey of prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is SWEAHLXDFCYSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-9-25-17(23)12-10(2)19-15-14(16(22)21-18(24)20-15)13(12)11-7-5-4-6-8-11/h3-8,12-13H,1,9H2,2H3,(H2,20,21,22,24).
What are the key properties of prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91896161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).