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Piromidic acid

C14H16N4O3 — CID 4855

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Piromidic acid

Piromidic 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 NamePiromidic 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
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

Frequently Asked Questions

What is the IUPAC name of Piromidic acid?
The IUPAC name of Piromidic 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 Piromidic acid?
The canonical SMILES for Piromidic acid is CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21.
What is the InChIKey of Piromidic 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 Piromidic acid?
Piromidic 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 Piromidic acid is sourced from PubChem (CID 4855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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