4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one

C13H9FIN5O2 — CID 140520700

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one
SMILESNc1nnc(-c2cc[nH]c(=O)c2Nc2ccc(I)cc2F)o1
InChIInChI=1S/C13H9FIN5O2/c14-8-5-6(15)1-2-9(8)18-10-7(3-4-17-11(10)21)12-19-20-13(16)22-12/h1-5,18H,(H2,16,20)(H,17,21)
InChIKeyMFVXOSDXSHHBGH-UHFFFAOYSA-N
MW413.15 g/mol
LogP2.49
Rot. Bonds3

About 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one

4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one (PubChem CID 140520700) has the molecular formula C13H9FIN5O2 and a molecular weight of 413.15 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one
PubChem CID140520700
Molecular FormulaC13H9FIN5O2
Molecular Weight413.15 g/mol
Exact Mass412.98
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one
SMILESNc1nnc(-c2cc[nH]c(=O)c2Nc2ccc(I)cc2F)o1
InChIInChI=1S/C13H9FIN5O2/c14-8-5-6(15)1-2-9(8)18-10-7(3-4-17-11(10)21)12-19-20-13(16)22-12/h1-5,18H,(H2,16,20)(H,17,21)
InChIKeyMFVXOSDXSHHBGH-UHFFFAOYSA-N
XLogP2.49
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.15
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
CID 86582288
4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 174235320
N-[2-[[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]acetamide
CID 167239585
5-[7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one
CID 58781143
3-[[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]amino]propanoic acid
CID 10323837
deuterium monohydride;5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
CID 161004349
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 142991697
5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one
CID 68785672
5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-amine
CID 10325075
[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid
CID 141187122
5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine
CID 11384665

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one (CID 140520700) is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one is Nc1nnc(-c2cc[nH]c(=O)c2Nc2ccc(I)cc2F)o1.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one?
The InChIKey is MFVXOSDXSHHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FIN5O2/c14-8-5-6(15)1-2-9(8)18-10-7(3-4-17-11(10)21)12-19-20-13(16)22-12/h1-5,18H,(H2,16,20)(H,17,21).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one?
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one has a molecular weight of 413.15 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one is sourced from PubChem (CID 140520700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).