methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate

C10H11N5O3 — CID 106407309

IUPACmethyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCc2ncon2)ncc1N
InChIInChI=1S/C10H11N5O3/c1-17-10(16)6-2-8(12-3-7(6)11)13-4-9-14-5-18-15-9/h2-3,5H,4,11H2,1H3,(H,12,13)
InChIKeyJGGKGSJZZWVDBV-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.45
Rot. Bonds4

About methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate

methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate (PubChem CID 106407309) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
PubChem CID106407309
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Namemethyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NCc2ncon2)ncc1N
InChIInChI=1S/C10H11N5O3/c1-17-10(16)6-2-8(12-3-7(6)11)13-4-9-14-5-18-15-9/h2-3,5H,4,11H2,1H3,(H,12,13)
InChIKeyJGGKGSJZZWVDBV-UHFFFAOYSA-N
XLogP0.45
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid
CID 106407329
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
methyl 5-amino-2-(5-methoxypentylamino)pyridine-4-carboxylate
CID 114131931
dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
CID 106412893
methyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341953
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
CID 114090203
6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate (CID 106407309) is methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate is COC(=O)c1cc(NCc2ncon2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate?
The InChIKey is JGGKGSJZZWVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-17-10(16)6-2-8(12-3-7(6)11)13-4-9-14-5-18-15-9/h2-3,5H,4,11H2,1H3,(H,12,13).
What are the key properties of methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate?
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate has a molecular weight of 249.23 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 106407309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).