methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate

C17H15N3O4 — CID 14801674

IUPACmethyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate
SMILESCCn1c(=O)c2cccnc2n(-c2cccc(C(=O)OC)c2)c1=O
InChIInChI=1S/C17H15N3O4/c1-3-19-15(21)13-8-5-9-18-14(13)20(17(19)23)12-7-4-6-11(10-12)16(22)24-2/h4-10H,3H2,1-2H3
InChIKeyRJBYMQOFDFDGAA-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.35
Rot. Bonds3

About methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate

methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate (PubChem CID 14801674) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate
PubChem CID14801674
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Namemethyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate
SMILESCCn1c(=O)c2cccnc2n(-c2cccc(C(=O)OC)c2)c1=O
InChIInChI=1S/C17H15N3O4/c1-3-19-15(21)13-8-5-9-18-14(13)20(17(19)23)12-7-4-6-11(10-12)16(22)24-2/h4-10H,3H2,1-2H3
InChIKeyRJBYMQOFDFDGAA-UHFFFAOYSA-N
XLogP1.35
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
3-[(3-Benzyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyrimidin)-1-yl]benzoic acid methyl ester
CID 9930122
(S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16066811
(R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16662634
(2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 16662687
Benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,2-dimethylpiperazine-1-carboxylate
CID 16662806
3-[(2-Methoxy-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonyl)-amino]-4-methyl-benzoic acid methyl ester
CID 57524820
3-[(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carbonyl)-amino]-benzoic acid methyl ester
CID 651144
Methyl 2,4-dioxo-3-{6-oxo-6-[(pyridin-2-ylmethyl)amino]hexyl}-1,2,3,4-tetrahydroquinazoline-7-carboxylate
CID 3243178
Methyl 2-[(4-methylpyridin-2-yl)carbamoylamino]benzoate
CID 6467137
ethyl 2-methyl-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-5-phenyl-1H-pyrrole-3-carboxylate
CID 12005407

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate?
The IUPAC name of methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate (CID 14801674) is methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate?
The canonical SMILES for methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate is CCn1c(=O)c2cccnc2n(-c2cccc(C(=O)OC)c2)c1=O.
What is the InChIKey of methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate?
The InChIKey is RJBYMQOFDFDGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-3-19-15(21)13-8-5-9-18-14(13)20(17(19)23)12-7-4-6-11(10-12)16(22)24-2/h4-10H,3H2,1-2H3.
What are the key properties of methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate?
methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate has a molecular weight of 325.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate is sourced from PubChem (CID 14801674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).