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

C11H12N4O3 — CID 107261911

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1noc(CCNC(=O)c2cccc(=O)[nH]2)n1
InChIInChI=1S/C11H12N4O3/c1-7-13-10(18-15-7)5-6-12-11(17)8-3-2-4-9(16)14-8/h2-4H,5-6H2,1H3,(H,12,17)(H,14,16)
InChIKeyOUBXVMNBLFKIBE-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.04
Rot. Bonds4

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107261911) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107261911
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1noc(CCNC(=O)c2cccc(=O)[nH]2)n1
InChIInChI=1S/C11H12N4O3/c1-7-13-10(18-15-7)5-6-12-11(17)8-3-2-4-9(16)14-8/h2-4H,5-6H2,1H3,(H,12,17)(H,14,16)
InChIKeyOUBXVMNBLFKIBE-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 N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (CID 107261911) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is Cc1noc(CCNC(=O)c2cccc(=O)[nH]2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is OUBXVMNBLFKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-13-10(18-15-7)5-6-12-11(17)8-3-2-4-9(16)14-8/h2-4H,5-6H2,1H3,(H,12,17)(H,14,16).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-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 N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).