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

C16H14N2O2 — CID 47111565

IUPACN-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)c1cccnc1
InChIInChI=1S/C16H14N2O2/c1-11(13-6-4-8-17-10-13)18-16(19)15-9-12-5-2-3-7-14(12)20-15/h2-11H,1H3,(H,18,19)
InChIKeyZTYPMTPONVAWTD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.32
Rot. Bonds3

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

N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 47111565) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID47111565
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2o1)c1cccnc1
InChIInChI=1S/C16H14N2O2/c1-11(13-6-4-8-17-10-13)18-16(19)15-9-12-5-2-3-7-14(12)20-15/h2-11H,1H3,(H,18,19)
InChIKeyZTYPMTPONVAWTD-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133190853
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133189144
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
3-methoxy-N-(1-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 18110339

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide (CID 47111565) is N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide is CC(NC(=O)c1cc2ccccc2o1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZTYPMTPONVAWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11(13-6-4-8-17-10-13)18-16(19)15-9-12-5-2-3-7-14(12)20-15/h2-11H,1H3,(H,18,19).
What are the key properties of N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide?
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47111565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).