1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide

C14H13FIN3O2 — CID 11429515

IUPAC1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide
SMILESCCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C14H13FIN3O2/c1-2-19-7-9(14(17)21)12(6-13(19)20)18-11-4-3-8(16)5-10(11)15/h3-7,18H,2H2,1H3,(H2,17,21)
InChIKeyMTQIPTSHULBJPD-UHFFFAOYSA-N
MW401.18 g/mol
LogP2.45
Rot. Bonds4

About 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide

1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide (PubChem CID 11429515) has the molecular formula C14H13FIN3O2 and a molecular weight of 401.18 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide
PubChem CID11429515
Molecular FormulaC14H13FIN3O2
Molecular Weight401.18 g/mol
Exact Mass401.00
IUPAC Name1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide
SMILESCCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C14H13FIN3O2/c1-2-19-7-9(14(17)21)12(6-13(19)20)18-11-4-3-8(16)5-10(11)15/h3-7,18H,2H2,1H3,(H2,17,21)
InChIKeyMTQIPTSHULBJPD-UHFFFAOYSA-N
XLogP2.45
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide (CID 11429515) is 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide is CCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O.
What is the InChIKey of 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide?
The InChIKey is MTQIPTSHULBJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FIN3O2/c1-2-19-7-9(14(17)21)12(6-13(19)20)18-11-4-3-8(16)5-10(11)15/h3-7,18H,2H2,1H3,(H2,17,21).
What are the key properties of 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide?
1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide has a molecular weight of 401.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11429515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).