4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid

C10H11N3O3 — CID 43143064

IUPAC4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid
SMILESO=C1CN(c2ccnc(C(=O)O)c2)CCN1
InChIInChI=1S/C10H11N3O3/c14-9-6-13(4-3-12-9)7-1-2-11-8(5-7)10(15)16/h1-2,5H,3-4,6H2,(H,12,14)(H,15,16)
InChIKeyHDXFVKNTIPFICP-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.28
Rot. Bonds2

About 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid

4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid (PubChem CID 43143064) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid
PubChem CID43143064
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid
SMILESO=C1CN(c2ccnc(C(=O)O)c2)CCN1
InChIInChI=1S/C10H11N3O3/c14-9-6-13(4-3-12-9)7-1-2-11-8(5-7)10(15)16/h1-2,5H,3-4,6H2,(H,12,14)(H,15,16)
InChIKeyHDXFVKNTIPFICP-UHFFFAOYSA-N
XLogP-0.28
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Aminopicolinic acid
CID 73836
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
4-(Dimethylamino)pyridine-2-carboxylic acid
CID 2050134
4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
CID 2050136
4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 269643
4-Aminopicolinic acid
CID 2050132
5-Aminopyridine-2-carboxylic acid
CID 4179726
2-((Pyridin-2-yl)formamido)acetic acid
CID 11788622
Kdoam-1
CID 126961671
4-Amino-5-acetamidopyridine-2-carboxylic acid
CID 5278296
4-(Piperidin-1-yl)picolinic acid
CID 270402
2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118420859

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid (CID 43143064) is 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid is O=C1CN(c2ccnc(C(=O)O)c2)CCN1.
What is the InChIKey of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is HDXFVKNTIPFICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9-6-13(4-3-12-9)7-1-2-11-8(5-7)10(15)16/h1-2,5H,3-4,6H2,(H,12,14)(H,15,16).
What are the key properties of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid?
4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43143064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).