2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid

C14H18N4O3 — CID 106401037

IUPAC2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(NCCc2ncon2)n1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)10-6-9(13(19)20)7-12(17-10)15-5-4-11-16-8-21-18-11/h6-8H,4-5H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyPGZAQPSMTBSOIH-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.11
Rot. Bonds5

About 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid

2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 106401037) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID106401037
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(NCCc2ncon2)n1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)10-6-9(13(19)20)7-12(17-10)15-5-4-11-16-8-21-18-11/h6-8H,4-5H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyPGZAQPSMTBSOIH-UHFFFAOYSA-N
XLogP2.11
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid (CID 106401037) is 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)O)cc(NCCc2ncon2)n1.
What is the InChIKey of 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is PGZAQPSMTBSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2,3)10-6-9(13(19)20)7-12(17-10)15-5-4-11-16-8-21-18-11/h6-8H,4-5H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106401037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).