3-[(5-iodo-2-pyridinyl)amino]butan-2-one

C9H11IN2O — CID 18755928

IUPAC3-[(5-iodo-2-pyridinyl)amino]butan-2-one
SMILESCC(=O)C(C)Nc1ccc(I)cn1
InChIInChI=1S/C9H11IN2O/c1-6(7(2)13)12-9-4-3-8(10)5-11-9/h3-6H,1-2H3,(H,11,12)
InChIKeyKHHYNVUDFCTFHP-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.08
Rot. Bonds3

About 3-[(5-iodo-2-pyridinyl)amino]butan-2-one

3-[(5-iodo-2-pyridinyl)amino]butan-2-one (PubChem CID 18755928) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 3-[(5-iodo-2-pyridinyl)amino]butan-2-one.

Molecular Properties

Compound Name3-[(5-iodo-2-pyridinyl)amino]butan-2-one
PubChem CID18755928
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name3-[(5-iodo-2-pyridinyl)amino]butan-2-one
SMILESCC(=O)C(C)Nc1ccc(I)cn1
InChIInChI=1S/C9H11IN2O/c1-6(7(2)13)12-9-4-3-8(10)5-11-9/h3-6H,1-2H3,(H,11,12)
InChIKeyKHHYNVUDFCTFHP-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-iodo-2-pyridinyl)amino]butan-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

2-Pyridinamine, N-methyl-
CID 20727
2-Acetamidopyridine
CID 72929
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
1-(3-Iodopyridin-2-yl)piperazine
CID 11500225
3-oxo-N-2-pyridylbutyramide
CID 74260
2-(Pivaloylamino)pyridine
CID 1051519
N-Pyridin-2-ylcarbamimidic acid
CID 202697
N-Cyclohexylpyridin-2-amine
CID 84957
2-Allylaminopyridine
CID 260916
2-cyano-N-(pyridin-2-yl)acetamide
CID 706187

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-2-pyridinyl)amino]butan-2-one?
The IUPAC name of 3-[(5-iodo-2-pyridinyl)amino]butan-2-one (CID 18755928) is 3-[(5-iodo-2-pyridinyl)amino]butan-2-one.
What is the SMILES notation for 3-[(5-iodo-2-pyridinyl)amino]butan-2-one?
The canonical SMILES for 3-[(5-iodo-2-pyridinyl)amino]butan-2-one is CC(=O)C(C)Nc1ccc(I)cn1.
What is the InChIKey of 3-[(5-iodo-2-pyridinyl)amino]butan-2-one?
The InChIKey is KHHYNVUDFCTFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-6(7(2)13)12-9-4-3-8(10)5-11-9/h3-6H,1-2H3,(H,11,12).
What are the key properties of 3-[(5-iodo-2-pyridinyl)amino]butan-2-one?
3-[(5-iodo-2-pyridinyl)amino]butan-2-one has a molecular weight of 290.10 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodo-2-pyridinyl)amino]butan-2-one is sourced from PubChem (CID 18755928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).