N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide

C17H16N2O2 — CID 46551068

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccncc1
InChIInChI=1S/C17H16N2O2/c1-12(16-11-14-5-3-4-6-15(14)21-16)19(2)17(20)13-7-9-18-10-8-13/h3-12H,1-2H3
InChIKeyFWTRCYXLMTUZMB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.66
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 46551068) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID46551068
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)c1ccncc1
InChIInChI=1S/C17H16N2O2/c1-12(16-11-14-5-3-4-6-15(14)21-16)19(2)17(20)13-7-9-18-10-8-13/h3-12H,1-2H3
InChIKeyFWTRCYXLMTUZMB-UHFFFAOYSA-N
XLogP3.66
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571557
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 46550910
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide (CID 46551068) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide is CC(c1cc2ccccc2o1)N(C)C(=O)c1ccncc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is FWTRCYXLMTUZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(16-11-14-5-3-4-6-15(14)21-16)19(2)17(20)13-7-9-18-10-8-13/h3-12H,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 46551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).