3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile

C16H13N3O2 — CID 104537029

IUPAC3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile
SMILESCCNc1cncc(Oc2c(C#N)oc3ccccc23)c1
InChIInChI=1S/C16H13N3O2/c1-2-19-11-7-12(10-18-9-11)20-16-13-5-3-4-6-14(13)21-15(16)8-17/h3-7,9-10,19H,2H2,1H3
InChIKeyLHXJVQXSLMSREN-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.92
Rot. Bonds4

About 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile

3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile (PubChem CID 104537029) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile
PubChem CID104537029
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile
SMILESCCNc1cncc(Oc2c(C#N)oc3ccccc23)c1
InChIInChI=1S/C16H13N3O2/c1-2-19-11-7-12(10-18-9-11)20-16-13-5-3-4-6-14(13)21-15(16)8-17/h3-7,9-10,19H,2H2,1H3
InChIKeyLHXJVQXSLMSREN-UHFFFAOYSA-N
XLogP3.92
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[5-(ethylamino)-3-pyridinyl]oxy]phenyl]methanol
CID 113424392
N-ethyl-5-(2-iodophenoxy)pyridin-3-amine
CID 104536566
5-(2-bromophenoxy)-N-ethylpyridin-3-amine
CID 104536174
N-ethyl-5-(2-methylsulfanylphenoxy)pyridin-3-amine
CID 113424390
N-ethyl-5-(4-methylphenoxy)pyridin-3-amine
CID 104536266
N-ethyl-5-quinolin-3-yloxypyridin-3-amine
CID 107388436
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
N-ethyl-5-(3-iodophenoxy)pyridin-3-amine
CID 104536529
3-[5-bromo-2-(bromomethyl)phenoxy]-1-benzofuran-2-carbonitrile
CID 107089130
3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile
CID 104797275
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
CID 104536574

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile (CID 104537029) is 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile is CCNc1cncc(Oc2c(C#N)oc3ccccc23)c1.
What is the InChIKey of 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile?
The InChIKey is LHXJVQXSLMSREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-2-19-11-7-12(10-18-9-11)20-16-13-5-3-4-6-14(13)21-15(16)8-17/h3-7,9-10,19H,2H2,1H3.
What are the key properties of 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile?
3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)-3-pyridinyl]oxy]-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 104537029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).