5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide

C16H14FN3O2 — CID 71721935

IUPAC5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide
SMILESCNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cn1
InChIInChI=1S/C16H14FN3O2/c1-19-8-12-3-2-9(7-20-12)14-5-10-4-11(17)6-13(16(18)21)15(10)22-14/h2-7,19H,8H2,1H3,(H2,18,21)
InChIKeyRTDFVVYBJNJWMG-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.45
Rot. Bonds4

About 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide

5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide (PubChem CID 71721935) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide
PubChem CID71721935
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide
SMILESCNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cn1
InChIInChI=1S/C16H14FN3O2/c1-19-8-12-3-2-9(7-20-12)14-5-10-4-11(17)6-13(16(18)21)15(10)22-14/h2-7,19H,8H2,1H3,(H2,18,21)
InChIKeyRTDFVVYBJNJWMG-UHFFFAOYSA-N
XLogP2.45
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide (CID 71721935) is 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide is CNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cn1.
What is the InChIKey of 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide?
The InChIKey is RTDFVVYBJNJWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-19-8-12-3-2-9(7-20-12)14-5-10-4-11(17)6-13(16(18)21)15(10)22-14/h2-7,19H,8H2,1H3,(H2,18,21).
What are the key properties of 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide?
5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide has a molecular weight of 299.31 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 5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 71721935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).