ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate

C20H19N3O4 — CID 3076488

IUPACethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESC=CCn1c(=O)n(-c2ccccc2)c(=O)c2c(C(=O)OCC)cc(C)nc21
InChIInChI=1S/C20H19N3O4/c1-4-11-22-17-16(15(12-13(3)21-17)19(25)27-5-2)18(24)23(20(22)26)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3
InChIKeyONGXGLWMPLMVKG-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.22
Rot. Bonds5

About ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 3076488) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID3076488
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESC=CCn1c(=O)n(-c2ccccc2)c(=O)c2c(C(=O)OCC)cc(C)nc21
InChIInChI=1S/C20H19N3O4/c1-4-11-22-17-16(15(12-13(3)21-17)19(25)27-5-2)18(24)23(20(22)26)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3
InChIKeyONGXGLWMPLMVKG-UHFFFAOYSA-N
XLogP2.22
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

3-[(3-Benzyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyrimidin)-1-yl]benzoic acid methyl ester
CID 9930122
Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, ethyl ester
CID 388431
3-[(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carbonyl)-amino]-benzoic acid methyl ester
CID 651144
Ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2123517
Ethyl 1-benzyl-7-(4-fluorophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2473907
1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 5298079
Ethyl 7-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
CID 5524566
Methyl 3-[3-(cyclopentylmethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 14442119
Methyl 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
CID 1506146
1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 5298072
Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(4-(4-phenyl-1-piperazinyl)butyl)-, ethyl ester
CID 388430
2,4-dioxo-7-phenyl-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 4962857

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 3076488) is ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate is C=CCn1c(=O)n(-c2ccccc2)c(=O)c2c(C(=O)OCC)cc(C)nc21.
What is the InChIKey of ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is ONGXGLWMPLMVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-4-11-22-17-16(15(12-13(3)21-17)19(25)27-5-2)18(24)23(20(22)26)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3.
What are the key properties of ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 3076488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).