8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C14H16N4O3 — CID 4855

IUPAC8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21
InChIInChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)
InChIKeyRCIMBBZXSXFZBV-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.11
Rot. Bonds3

About 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 4855) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID4855
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21
InChIInChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)
InChIKeyRCIMBBZXSXFZBV-UHFFFAOYSA-N
XLogP1.11
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pipemidic Acid
CID 4831
Pipemidic acid trihydrate
CID 153398
2-{4-[(Allylamino)carbonothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 1619204
8-Ethyl-5,8-dihydro-2-(3-hydroxy-1-pyrrolidinyl)-5-oxopyrido(2,3-d)pyrimidine-6-carboxylic acid
CID 160232
8-Ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 1266782
8-Ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 6921791
8-Ethyl-5-oxo-2-(4-prop-2-ynylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 12917694
4-Amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 15097890
4-Amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 15097891
4-Amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 15097892
2-(4,4-Dimethylpiperazin-4-ium-1-yl)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid iodide
CID 172454608
5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid
CID 12379019

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 4855) is 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21.
What is the InChIKey of 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is RCIMBBZXSXFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21).
What are the key properties of 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 4855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).