2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide

C18H18N4O3 — CID 139000135

IUPAC2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2noc(-c3ccccc3)n2)cc(=O)[nH]1
InChIInChI=1S/C18H18N4O3/c1-3-14-9-13(10-15(23)20-14)17(24)19-11(2)16-21-18(25-22-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyYRKATECPFPBJBN-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.48
Rot. Bonds5

About 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide

2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide (PubChem CID 139000135) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide
PubChem CID139000135
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2noc(-c3ccccc3)n2)cc(=O)[nH]1
InChIInChI=1S/C18H18N4O3/c1-3-14-9-13(10-15(23)20-14)17(24)19-11(2)16-21-18(25-22-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyYRKATECPFPBJBN-UHFFFAOYSA-N
XLogP2.48
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide (CID 139000135) is 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)c2noc(-c3ccccc3)n2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide?
The InChIKey is YRKATECPFPBJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-14-9-13(10-15(23)20-14)17(24)19-11(2)16-21-18(25-22-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide?
2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 139000135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).