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

C12H14N4O2 — CID 136966609

IUPAC5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nc(CNC3CC3)no2)c[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-4-10(17)9(5-13-7)12-15-11(16-18-12)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3,(H,13,17)
InChIKeyNQWRSBPXYWYSBL-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.99
Rot. Bonds4

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

5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one (PubChem CID 136966609) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
PubChem CID136966609
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2nc(CNC3CC3)no2)c[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-4-10(17)9(5-13-7)12-15-11(16-18-12)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3,(H,13,17)
InChIKeyNQWRSBPXYWYSBL-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

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Related Compounds

5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812623
5-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-1H-pyridin-4-one
CID 136812719
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529
N-[[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065577
N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341595
N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 114026356
5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136966610
N-[[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341400
5-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812597
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341594
N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 81261069
N-[[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065625

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one (CID 136966609) is 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2nc(CNC3CC3)no2)c[nH]1.
What is the InChIKey of 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
The InChIKey is NQWRSBPXYWYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-4-10(17)9(5-13-7)12-15-11(16-18-12)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3,(H,13,17).
What are the key properties of 5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one?
5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-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-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 136966609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).