4-(benzylamino)-3-iodo-1H-pyridin-2-one

C12H11IN2O — CID 58053867

IUPAC4-(benzylamino)-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NCc2ccccc2)c1I
InChIInChI=1S/C12H11IN2O/c13-11-10(6-7-14-12(11)16)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,16)
InChIKeyZZPXUUXFVZAKSY-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.59
Rot. Bonds3

About 4-(benzylamino)-3-iodo-1H-pyridin-2-one

4-(benzylamino)-3-iodo-1H-pyridin-2-one (PubChem CID 58053867) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-(benzylamino)-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-3-iodo-1H-pyridin-2-one
PubChem CID58053867
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name4-(benzylamino)-3-iodo-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NCc2ccccc2)c1I
InChIInChI=1S/C12H11IN2O/c13-11-10(6-7-14-12(11)16)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,16)
InChIKeyZZPXUUXFVZAKSY-UHFFFAOYSA-N
XLogP2.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(benzylamino)-2-oxo-1H-pyridine-3-carbonitrile
CID 13150306
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
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3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one
CID 58254647
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione
CID 72696483
2-iodo-N-[(4-methylphenyl)methyl]aniline
CID 28878568
4-[(2-iodoanilino)methyl]benzoic acid
CID 62217620
N-benzyl-2-iodo-5-methoxyaniline
CID 71421777
1-N-benzyl-2-iodobenzene-1,4-diamine
CID 66093524
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
2-(benzylamino)cyclohepta-2,4,6-triene-1-thione
CID 767429

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-3-iodo-1H-pyridin-2-one?
The IUPAC name of 4-(benzylamino)-3-iodo-1H-pyridin-2-one (CID 58053867) is 4-(benzylamino)-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 4-(benzylamino)-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 4-(benzylamino)-3-iodo-1H-pyridin-2-one is O=c1[nH]ccc(NCc2ccccc2)c1I.
What is the InChIKey of 4-(benzylamino)-3-iodo-1H-pyridin-2-one?
The InChIKey is ZZPXUUXFVZAKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c13-11-10(6-7-14-12(11)16)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,16).
What are the key properties of 4-(benzylamino)-3-iodo-1H-pyridin-2-one?
4-(benzylamino)-3-iodo-1H-pyridin-2-one has a molecular weight of 326.14 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 58053867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).