5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one

C12H14N4O2 — CID 136812719

IUPAC5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nnc(CNC3CC3)o2)c[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-4-10(17)9(5-13-7)12-16-15-11(18-12)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3,(H,13,17)
InChIKeyOQMBYUVAULSVLW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.99
Rot. Bonds4

About 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one

5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one (PubChem CID 136812719) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one
PubChem CID136812719
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nnc(CNC3CC3)o2)c[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-4-10(17)9(5-13-7)12-16-15-11(18-12)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3,(H,13,17)
InChIKeyOQMBYUVAULSVLW-UHFFFAOYSA-N
XLogP0.99
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one (CID 136812719) is 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2nnc(CNC3CC3)o2)c[nH]1.
What is the InChIKey of 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one?
The InChIKey is OQMBYUVAULSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-4-10(17)9(5-13-7)12-16-15-11(18-12)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3,(H,13,17).
What are the key properties of 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one?
5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one has a molecular weight of 246.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 136812719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).