5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid

C9H9N5O3 — CID 106407329

IUPAC5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESNc1cnc(NCc2ncon2)cc1C(=O)O
InChIInChI=1S/C9H9N5O3/c10-6-2-11-7(1-5(6)9(15)16)12-3-8-13-4-17-14-8/h1-2,4H,3,10H2,(H,11,12)(H,15,16)
InChIKeyBSCSOBJTZDJSCO-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.36
Rot. Bonds4

About 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid

5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 106407329) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID106407329
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESNc1cnc(NCc2ncon2)cc1C(=O)O
InChIInChI=1S/C9H9N5O3/c10-6-2-11-7(1-5(6)9(15)16)12-3-8-13-4-17-14-8/h1-2,4H,3,10H2,(H,11,12)(H,15,16)
InChIKeyBSCSOBJTZDJSCO-UHFFFAOYSA-N
XLogP0.36
TPSA127.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
2-(1,2,4-oxadiazol-3-ylmethylamino)benzoic acid
CID 106400670
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid
CID 106392086
1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
CID 106412894
2-chloro-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,5-diamine
CID 106393374
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
CID 106407353
2-fluoro-4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]benzoic acid
CID 106401821
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
3,5-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)benzoic acid
CID 106403141
1-methyl-5-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]pyrazole-4-carboxylic acid
CID 106401216

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid (CID 106407329) is 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid is Nc1cnc(NCc2ncon2)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is BSCSOBJTZDJSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c10-6-2-11-7(1-5(6)9(15)16)12-3-8-13-4-17-14-8/h1-2,4H,3,10H2,(H,11,12)(H,15,16).
What are the key properties of 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid?
5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 106407329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).