2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid

C10H11N3O3 — CID 71650913

IUPAC2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid
SMILESO=C1NCC(C(=O)O)C(c2ccncc2)N1
InChIInChI=1S/C10H11N3O3/c14-9(15)7-5-12-10(16)13-8(7)6-1-3-11-4-2-6/h1-4,7-8H,5H2,(H,14,15)(H2,12,13,16)
InChIKeyNBJDFEFLQVJDFO-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.14
Rot. Bonds2

About 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid

2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid (PubChem CID 71650913) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid
PubChem CID71650913
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid
SMILESO=C1NCC(C(=O)O)C(c2ccncc2)N1
InChIInChI=1S/C10H11N3O3/c14-9(15)7-5-12-10(16)13-8(7)6-1-3-11-4-2-6/h1-4,7-8H,5H2,(H,14,15)(H2,12,13,16)
InChIKeyNBJDFEFLQVJDFO-UHFFFAOYSA-N
XLogP0.14
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid 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 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid?
The IUPAC name of 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid (CID 71650913) is 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid.
What is the SMILES notation for 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid?
The canonical SMILES for 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid is O=C1NCC(C(=O)O)C(c2ccncc2)N1.
What is the InChIKey of 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid?
The InChIKey is NBJDFEFLQVJDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(15)7-5-12-10(16)13-8(7)6-1-3-11-4-2-6/h1-4,7-8H,5H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid?
2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-pyridin-4-yl-1,3-diazinane-5-carboxylic acid is sourced from PubChem (CID 71650913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).