4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide

C15H13FIN3O2 — CID 11177427

IUPAC4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C15H13FIN3O2/c1-2-5-20-8-10(15(18)22)13(7-14(20)21)19-12-4-3-9(17)6-11(12)16/h2-4,6-8,19H,1,5H2,(H2,18,22)
InChIKeyKPZWCJJIVRSDTG-UHFFFAOYSA-N
MW413.19 g/mol
LogP2.62
Rot. Bonds5

About 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide

4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 11177427) has the molecular formula C15H13FIN3O2 and a molecular weight of 413.19 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID11177427
Molecular FormulaC15H13FIN3O2
Molecular Weight413.19 g/mol
Exact Mass413.00
IUPAC Name4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C15H13FIN3O2/c1-2-5-20-8-10(15(18)22)13(7-14(20)21)19-12-4-3-9(17)6-11(12)16/h2-4,6-8,19H,1,5H2,(H2,18,22)
InChIKeyKPZWCJJIVRSDTG-UHFFFAOYSA-N
XLogP2.62
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 11177427) is 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is KPZWCJJIVRSDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FIN3O2/c1-2-5-20-8-10(15(18)22)13(7-14(20)21)19-12-4-3-9(17)6-11(12)16/h2-4,6-8,19H,1,5H2,(H2,18,22).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 413.19 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-6-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 11177427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).