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

C11H12N4O3 — CID 103744015

IUPAC6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2ncno2)c[nH]1
InChIInChI=1S/C11H12N4O3/c1-7-4-9(16)8(5-13-7)11(17)12-3-2-10-14-6-15-18-10/h4-6H,2-3H2,1H3,(H,12,17)(H,13,16)
InChIKeyPGYKLVCVRFOPKD-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.04
Rot. Bonds4

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

6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103744015) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103744015
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCc2ncno2)c[nH]1
InChIInChI=1S/C11H12N4O3/c1-7-4-9(16)8(5-13-7)11(17)12-3-2-10-14-6-15-18-10/h4-6H,2-3H2,1H3,(H,12,17)(H,13,16)
InChIKeyPGYKLVCVRFOPKD-UHFFFAOYSA-N
XLogP0.04
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103744015) is 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCc2ncno2)c[nH]1.
What is the InChIKey of 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PGYKLVCVRFOPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-4-9(16)8(5-13-7)11(17)12-3-2-10-14-6-15-18-10/h4-6H,2-3H2,1H3,(H,12,17)(H,13,16).
What are the key properties of 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103744015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).