4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one

C10H12IN3O — CID 168699714

IUPAC4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)ncc1I
InChIInChI=1S/C10H12IN3O/c1-6-2-9(13-4-8(6)11)14-5-7(12)3-10(14)15/h2,4,7H,3,5,12H2,1H3
InChIKeyUFDRBKVJNADISD-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.06
Rot. Bonds1

About 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one

4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168699714) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168699714
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)ncc1I
InChIInChI=1S/C10H12IN3O/c1-6-2-9(13-4-8(6)11)14-5-7(12)3-10(14)15/h2,4,7H,3,5,12H2,1H3
InChIKeyUFDRBKVJNADISD-UHFFFAOYSA-N
XLogP1.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodo-4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717618
4-amino-1-(4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 43521184
4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
CID 43521189
1-(4-chloro-5-iodo-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671829
4-amino-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168700677
4-amino-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168701326
4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168659758
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
S-[[1-(5-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667046
1-(5-chloro-4-methyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684694

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one (CID 168699714) is 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one is Cc1cc(N2CC(N)CC2=O)ncc1I.
What is the InChIKey of 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is UFDRBKVJNADISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c1-6-2-9(13-4-8(6)11)14-5-7(12)3-10(14)15/h2,4,7H,3,5,12H2,1H3.
What are the key properties of 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one?
4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 317.13 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168699714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).