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

C13H16N4O3 — CID 90652581

IUPAC6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCC(C)c1noc(CCNC(=O)c2cccc(=O)[nH]2)n1
InChIInChI=1S/C13H16N4O3/c1-8(2)12-16-11(20-17-12)6-7-14-13(19)9-4-3-5-10(18)15-9/h3-5,8H,6-7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyRVXXYHYVDPLTEQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.85
Rot. Bonds5

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

6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide (PubChem CID 90652581) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
PubChem CID90652581
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCC(C)c1noc(CCNC(=O)c2cccc(=O)[nH]2)n1
InChIInChI=1S/C13H16N4O3/c1-8(2)12-16-11(20-17-12)6-7-14-13(19)9-4-3-5-10(18)15-9/h3-5,8H,6-7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyRVXXYHYVDPLTEQ-UHFFFAOYSA-N
XLogP0.85
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide (CID 90652581) is 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide is CC(C)c1noc(CCNC(=O)c2cccc(=O)[nH]2)n1.
What is the InChIKey of 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
The InChIKey is RVXXYHYVDPLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(2)12-16-11(20-17-12)6-7-14-13(19)9-4-3-5-10(18)15-9/h3-5,8H,6-7H2,1-2H3,(H,14,19)(H,15,18).
What are the key properties of 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide?
6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 90652581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).