1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile

C12H12N4O2 — CID 75505834

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCc1nc(Cn2ccc(C)c(C#N)c2=O)no1
InChIInChI=1S/C12H12N4O2/c1-3-11-14-10(15-18-11)7-16-5-4-8(2)9(6-13)12(16)17/h4-5H,3,7H2,1-2H3
InChIKeyRPTDIZOYTHOOIT-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.02
Rot. Bonds3

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 75505834) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID75505834
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCc1nc(Cn2ccc(C)c(C#N)c2=O)no1
InChIInChI=1S/C12H12N4O2/c1-3-11-14-10(15-18-11)7-16-5-4-8(2)9(6-13)12(16)17/h4-5H,3,7H2,1-2H3
InChIKeyRPTDIZOYTHOOIT-UHFFFAOYSA-N
XLogP1.02
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 75505834) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile is CCc1nc(Cn2ccc(C)c(C#N)c2=O)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is RPTDIZOYTHOOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-3-11-14-10(15-18-11)7-16-5-4-8(2)9(6-13)12(16)17/h4-5H,3,7H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 244.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 75505834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).