2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid

C10H10N4O3 — CID 106400845

IUPAC2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ncno2)c1
InChIInChI=1S/C10H10N4O3/c15-10(16)7-1-3-11-8(5-7)12-4-2-9-13-6-14-17-9/h1,3,5-6H,2,4H2,(H,11,12)(H,15,16)
InChIKeyYVSPBSLOMOSRLX-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.82
Rot. Bonds5

About 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 106400845) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID106400845
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ncno2)c1
InChIInChI=1S/C10H10N4O3/c15-10(16)7-1-3-11-8(5-7)12-4-2-9-13-6-14-17-9/h1,3,5-6H,2,4H2,(H,11,12)(H,15,16)
InChIKeyYVSPBSLOMOSRLX-UHFFFAOYSA-N
XLogP0.82
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
2-[[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 106403853
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 113253256
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
2-fluoro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoic acid
CID 114185307
3-[[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 106403730
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid (CID 106400845) is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCc2ncno2)c1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is YVSPBSLOMOSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-10(16)7-1-3-11-8(5-7)12-4-2-9-13-6-14-17-9/h1,3,5-6H,2,4H2,(H,11,12)(H,15,16).
What are the key properties of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106400845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).