N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide

C23H20N2O2 — CID 42796265

IUPACN-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(CCc1ccccc1)Cc1cc2ccccc2o1
InChIInChI=1S/C23H20N2O2/c26-23(19-10-13-24-14-11-19)25(15-12-18-6-2-1-3-7-18)17-21-16-20-8-4-5-9-22(20)27-21/h1-11,13-14,16H,12,15,17H2
InChIKeyJMHBMOFNTRWPRO-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.71
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide

N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide (PubChem CID 42796265) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
PubChem CID42796265
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(CCc1ccccc1)Cc1cc2ccccc2o1
InChIInChI=1S/C23H20N2O2/c26-23(19-10-13-24-14-11-19)25(15-12-18-6-2-1-3-7-18)17-21-16-20-8-4-5-9-22(20)27-21/h1-11,13-14,16H,12,15,17H2
InChIKeyJMHBMOFNTRWPRO-UHFFFAOYSA-N
XLogP4.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
CID 120885666
N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1433068
3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 110896623
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1466287
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide
CID 3930338
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide (CID 42796265) is N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide is O=C(c1ccncc1)N(CCc1ccccc1)Cc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide?
The InChIKey is JMHBMOFNTRWPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23(19-10-13-24-14-11-19)25(15-12-18-6-2-1-3-7-18)17-21-16-20-8-4-5-9-22(20)27-21/h1-11,13-14,16H,12,15,17H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide?
N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 42796265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).