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

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Related Compounds

trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
(3S,4R)-1-(oxan-4-yl)-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 72939902
4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
CID 131480890
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
(2S,3S)-1-propan-2-yl-2-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 82389662
1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 90179114
(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96899124
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 117042628
ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 143177122
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
5-pyridin-4-ylmorpholin-3-one
CID 130045399

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).