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

C19H19N3O4 — CID 56738092

IUPACethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C
InChIInChI=1S/C19H19N3O4/c1-3-26-18(24)14-11-15-16(20-12(14)2)22(19(25)21-17(15)23)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,21,23,25)
InChIKeyYHNIICACGFNMOV-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.81
Rot. Bonds5

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

ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 56738092) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID56738092
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nameethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C
InChIInChI=1S/C19H19N3O4/c1-3-26-18(24)14-11-15-16(20-12(14)2)22(19(25)21-17(15)23)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,21,23,25)
InChIKeyYHNIICACGFNMOV-UHFFFAOYSA-N
XLogP1.81
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate (CID 56738092) is ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C.
What is the InChIKey of ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YHNIICACGFNMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-26-18(24)14-11-15-16(20-12(14)2)22(19(25)21-17(15)23)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,21,23,25).
What are the key properties of ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 56738092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).