ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

C17H17N3O4 — CID 4843905

IUPACethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-3-24-16(22)11-9(2)18-14-13(15(21)20-17(23)19-14)12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H3,18,19,20,21,23)
InChIKeyNSRPZDFBMFBDGL-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.46
Rot. Bonds3

About ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 4843905) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID4843905
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-3-24-16(22)11-9(2)18-14-13(15(21)20-17(23)19-14)12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H3,18,19,20,21,23)
InChIKeyNSRPZDFBMFBDGL-UHFFFAOYSA-N
XLogP1.46
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 4843905) is ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1.
What is the InChIKey of ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is NSRPZDFBMFBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-24-16(22)11-9(2)18-14-13(15(21)20-17(23)19-14)12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H3,18,19,20,21,23).
What are the key properties of ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 4843905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).