potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate

C14H16KN5O3 — CID 23684590

IUPACpotassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCNCC3)nc21.[K+]
InChIInChI=1S/C14H17N5O3.K/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);/q;+1/p-1
InChIKeyHASBJZUCMPOWLQ-UHFFFAOYSA-M
MW341.41 g/mol
LogP-4.41
Rot. Bonds3

About potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate

potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23684590) has the molecular formula C14H16KN5O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepotassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID23684590
Molecular FormulaC14H16KN5O3
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Namepotassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCNCC3)nc21.[K+]
InChIInChI=1S/C14H17N5O3.K/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);/q;+1/p-1
InChIKeyHASBJZUCMPOWLQ-UHFFFAOYSA-M
XLogP-4.41
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-4.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate (CID 23684590) is potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate is CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCNCC3)nc21.[K+].
What is the InChIKey of potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HASBJZUCMPOWLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17N5O3.K/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);/q;+1/p-1.
What are the key properties of potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate?
potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 341.41 g/mol, XLogP of -4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23684590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).