2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C12H14N4O4 — CID 107437307

IUPAC2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C1CNC(C(=O)NCc2cc(C(=O)O)ccn2)CN1
InChIInChI=1S/C12H14N4O4/c17-10-6-14-9(5-15-10)11(18)16-4-8-3-7(12(19)20)1-2-13-8/h1-3,9,14H,4-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXARTWJLGFDKLQD-UHFFFAOYSA-N
MW278.27 g/mol
LogP-1.52
Rot. Bonds4

About 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 107437307) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID107437307
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C1CNC(C(=O)NCc2cc(C(=O)O)ccn2)CN1
InChIInChI=1S/C12H14N4O4/c17-10-6-14-9(5-15-10)11(18)16-4-8-3-7(12(19)20)1-2-13-8/h1-3,9,14H,4-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXARTWJLGFDKLQD-UHFFFAOYSA-N
XLogP-1.52
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 83193579
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435967
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
3-chloro-4-[(5-oxopiperazine-2-carbonyl)amino]benzoic acid
CID 107436673
5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2-carboxamide
CID 106381374
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 107437307) is 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is O=C1CNC(C(=O)NCc2cc(C(=O)O)ccn2)CN1.
What is the InChIKey of 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is XARTWJLGFDKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c17-10-6-14-9(5-15-10)11(18)16-4-8-3-7(12(19)20)1-2-13-8/h1-3,9,14H,4-6H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of -1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 107437307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).