N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

C16H14N2O2 — CID 4825824

IUPACN-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O2/c19-16(18-10-8-13-6-3-4-9-17-13)15-11-12-5-1-2-7-14(12)20-15/h1-7,9,11H,8,10H2,(H,18,19)
InChIKeyZTUDFNFNBFDPAS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.80
Rot. Bonds4

About N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 4825824) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID4825824
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O2/c19-16(18-10-8-13-6-3-4-9-17-13)15-11-12-5-1-2-7-14(12)20-15/h1-7,9,11H,8,10H2,(H,18,19)
InChIKeyZTUDFNFNBFDPAS-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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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide (CID 4825824) is N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is O=C(NCCc1ccccn1)c1cc2ccccc2o1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZTUDFNFNBFDPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(18-10-8-13-6-3-4-9-17-13)15-11-12-5-1-2-7-14(12)20-15/h1-7,9,11H,8,10H2,(H,18,19).
What are the key properties of N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide?
N-(2-pyridin-2-ylethyl)-1-benzofuran-2-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-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4825824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).