2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide

C15H12FN3O2 — CID 70690404

IUPAC2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide
SMILESCNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)nc1F
InChIInChI=1S/C15H12FN3O2/c1-18-11-4-3-10(19-14(11)16)13-7-9-6-8(15(17)20)2-5-12(9)21-13/h2-7,18H,1H3,(H2,17,20)
InChIKeyOHVYYFKKJXAWCN-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.77
Rot. Bonds3

About 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide

2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide (PubChem CID 70690404) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide
PubChem CID70690404
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide
SMILESCNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)nc1F
InChIInChI=1S/C15H12FN3O2/c1-18-11-4-3-10(19-14(11)16)13-7-9-6-8(15(17)20)2-5-12(9)21-13/h2-7,18H,1H3,(H2,17,20)
InChIKeyOHVYYFKKJXAWCN-UHFFFAOYSA-N
XLogP2.77
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide (CID 70690404) is 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide is CNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)nc1F.
What is the InChIKey of 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide?
The InChIKey is OHVYYFKKJXAWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-18-11-4-3-10(19-14(11)16)13-7-9-6-8(15(17)20)2-5-12(9)21-13/h2-7,18H,1H3,(H2,17,20).
What are the key properties of 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide?
2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 70690404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).