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

C15H12FN3O2 — CID 70688384

IUPAC2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide
SMILESCNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)c(F)n1
InChIInChI=1S/C15H12FN3O2/c1-18-13-5-3-10(14(16)19-13)12-7-9-6-8(15(17)20)2-4-11(9)21-12/h2-7H,1H3,(H2,17,20)(H,18,19)
InChIKeyMIRQBIKPLBJMQP-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.77
Rot. Bonds3

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

2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide (PubChem CID 70688384) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide
PubChem CID70688384
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide
SMILESCNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)c(F)n1
InChIInChI=1S/C15H12FN3O2/c1-18-13-5-3-10(14(16)19-13)12-7-9-6-8(15(17)20)2-4-11(9)21-12/h2-7H,1H3,(H2,17,20)(H,18,19)
InChIKeyMIRQBIKPLBJMQP-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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Related Compounds

Flutafuranol
CID 24896605
4-(2,3-Dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920140
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951730
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951982
4-(1-Benzofuran-5-yl)pyridine-2,6-diamine
CID 155920134
N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 155920138
4-(2-Methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920139
Flutafuranol F 18
CID 44815683
3-methyl-N-2-pyridinyl-1-benzofuran-2-carboxamide
CID 1245473
2-[6-(Methylamino)-3-pyridinyl]-1-benzofuran-6-ol
CID 46881596
5-(6-methoxy-1-benzofuran-2-yl)-N-methylpyridin-2-amine
CID 46881597
4-(1-benzofuran-5-yl)-6-N-methylpyridine-2,6-diamine
CID 166629363

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide (CID 70688384) is 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide is CNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)c(F)n1.
What is the InChIKey of 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide?
The InChIKey is MIRQBIKPLBJMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-18-13-5-3-10(14(16)19-13)12-7-9-6-8(15(17)20)2-4-11(9)21-12/h2-7H,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide?
2-[2-fluoro-6-(methylamino)-3-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-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 70688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).