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

C10H10IN3O2 — CID 84590849

IUPAC5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nnc(Cn2cc(I)cc(C)c2=O)o1
InChIInChI=1S/C10H10IN3O2/c1-6-3-8(11)4-14(10(6)15)5-9-13-12-7(2)16-9/h3-4H,5H2,1-2H3
InChIKeyJMIPIHIVKKKTKF-UHFFFAOYSA-N
MW331.11 g/mol
LogP1.50
Rot. Bonds2

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

5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 84590849) has the molecular formula C10H10IN3O2 and a molecular weight of 331.11 g/mol. Its IUPAC name is 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID84590849
Molecular FormulaC10H10IN3O2
Molecular Weight331.11 g/mol
Exact Mass330.98
IUPAC Name5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCc1nnc(Cn2cc(I)cc(C)c2=O)o1
InChIInChI=1S/C10H10IN3O2/c1-6-3-8(11)4-14(10(6)15)5-9-13-12-7(2)16-9/h3-4H,5H2,1-2H3
InChIKeyJMIPIHIVKKKTKF-UHFFFAOYSA-N
XLogP1.50
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 45811938
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72907766
5-Fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 99831421
5-Fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 136529849
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
CID 172336154
ethane;4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
CID 172336641
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxopyridine-4-carboxamide
CID 176096483
4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
CID 177234959
5-Bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60627666
5-Bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60746497
5-Bromo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 83133220
1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 103823138

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 84590849) is 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is Cc1nnc(Cn2cc(I)cc(C)c2=O)o1.
What is the InChIKey of 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is JMIPIHIVKKKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O2/c1-6-3-8(11)4-14(10(6)15)5-9-13-12-7(2)16-9/h3-4H,5H2,1-2H3.
What are the key properties of 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 331.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 84590849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).