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Pipemidic acid

C14H17N5O3 — CID 4831

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

IUPAC8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
InChIKeyJOHZPMXAZQZXHR-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.08
Rot. Bonds3

About Pipemidic acid

Pipemidic acid (PubChem CID 4831) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound NamePipemidic acid
PubChem CID4831
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
InChIInChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
InChIKeyJOHZPMXAZQZXHR-UHFFFAOYSA-N
XLogP-0.08
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Piromidic Acid
CID 4855
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-2-[4-({[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]amino}carbonothioyl)-1-piperazinyl]-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 2962665
8-Ethyl-2-(4-{[1-methoxy-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 2968102
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 Pipemidic acid?
The IUPAC name of Pipemidic acid (CID 4831) is 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for Pipemidic acid?
The canonical SMILES for Pipemidic acid is CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21.
What is the InChIKey of Pipemidic acid?
The InChIKey is JOHZPMXAZQZXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22).
What are the key properties of Pipemidic acid?
Pipemidic acid has a molecular weight of 303.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Pipemidic acid is sourced from PubChem (CID 4831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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