N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide

C16H14N2O2 — CID 110872276

IUPACN-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc2ccccc12)c1cccnc1
InChIInChI=1S/C16H14N2O2/c19-16(12-4-3-8-17-10-12)18-9-7-13-11-20-15-6-2-1-5-14(13)15/h1-6,8,10-11H,7,9H2,(H,18,19)
InChIKeyIGJYFZPBZLARLJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide

N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 110872276) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID110872276
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc2ccccc12)c1cccnc1
InChIInChI=1S/C16H14N2O2/c19-16(12-4-3-8-17-10-12)18-9-7-13-11-20-15-6-2-1-5-14(13)15/h1-6,8,10-11H,7,9H2,(H,18,19)
InChIKeyIGJYFZPBZLARLJ-UHFFFAOYSA-N
XLogP2.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 110789703
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
N-[2-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 110995562
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111603204

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide (CID 110872276) is N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1coc2ccccc12)c1cccnc1.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is IGJYFZPBZLARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(12-4-3-8-17-10-12)18-9-7-13-11-20-15-6-2-1-5-14(13)15/h1-6,8,10-11H,7,9H2,(H,18,19).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide?
N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110872276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).