N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H16N2O2 — CID 47153707

IUPACN-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1cccnc1)C1Cc2ccccc2O1
InChIInChI=1S/C16H16N2O2/c19-16(18-9-7-12-4-3-8-17-11-12)15-10-13-5-1-2-6-14(13)20-15/h1-6,8,11,15H,7,9-10H2,(H,18,19)
InChIKeyNZOFJXKDEHEJGQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.74
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 47153707) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID47153707
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1cccnc1)C1Cc2ccccc2O1
InChIInChI=1S/C16H16N2O2/c19-16(18-9-7-12-4-3-8-17-11-12)15-10-13-5-1-2-6-14(13)20-15/h1-6,8,11,15H,7,9-10H2,(H,18,19)
InChIKeyNZOFJXKDEHEJGQ-UHFFFAOYSA-N
XLogP1.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91789807
(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178129
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95294009
(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96563122

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 47153707) is N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCc1cccnc1)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is NZOFJXKDEHEJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(18-9-7-12-4-3-8-17-11-12)15-10-13-5-1-2-6-14(13)20-15/h1-6,8,11,15H,7,9-10H2,(H,18,19).
What are the key properties of N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47153707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).