3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide

C16H13FIN3O2 — CID 25012018

IUPAC3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H13FIN3O2/c1-21(2)16(22)15-14(10-8-19-6-5-13(10)23-15)20-12-4-3-9(18)7-11(12)17/h3-8,20H,1-2H3
InChIKeyKZJDJTXUOLYJTB-UHFFFAOYSA-N
MW425.20 g/mol
LogP4.02
Rot. Bonds3

About 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide (PubChem CID 25012018) has the molecular formula C16H13FIN3O2 and a molecular weight of 425.20 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide
PubChem CID25012018
Molecular FormulaC16H13FIN3O2
Molecular Weight425.20 g/mol
Exact Mass425.00
IUPAC Name3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H13FIN3O2/c1-21(2)16(22)15-14(10-8-19-6-5-13(10)23-15)20-12-4-3-9(18)7-11(12)17/h3-8,20H,1-2H3
InChIKeyKZJDJTXUOLYJTB-UHFFFAOYSA-N
XLogP4.02
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
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 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide (CID 25012018) is 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide is CN(C)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide?
The InChIKey is KZJDJTXUOLYJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FIN3O2/c1-21(2)16(22)15-14(10-8-19-6-5-13(10)23-15)20-12-4-3-9(18)7-11(12)17/h3-8,20H,1-2H3.
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide has a molecular weight of 425.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25012018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).