ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate

C13H17N5O3 — CID 106422570

IUPACethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NCCc2noc(C)n2)c1N
InChIInChI=1S/C13H17N5O3/c1-3-20-13(19)9-4-6-15-12(11(9)14)16-7-5-10-17-8(2)21-18-10/h4,6H,3,5,7,14H2,1-2H3,(H,15,16)
InChIKeyRAZJEZNLBVVYBB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.19
Rot. Bonds6

About ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate

ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate (PubChem CID 106422570) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
PubChem CID106422570
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Nameethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NCCc2noc(C)n2)c1N
InChIInChI=1S/C13H17N5O3/c1-3-20-13(19)9-4-6-15-12(11(9)14)16-7-5-10-17-8(2)21-18-10/h4,6H,3,5,7,14H2,1-2H3,(H,15,16)
InChIKeyRAZJEZNLBVVYBB-UHFFFAOYSA-N
XLogP1.19
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341966
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 114186957
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
3-fluoro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106423139
6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine
CID 106418495
3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408130
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]isoquinolin-1-amine
CID 106418459
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate (CID 106422570) is ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NCCc2noc(C)n2)c1N.
What is the InChIKey of ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate?
The InChIKey is RAZJEZNLBVVYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-3-20-13(19)9-4-6-15-12(11(9)14)16-7-5-10-17-8(2)21-18-10/h4,6H,3,5,7,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate?
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106422570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).