N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide

C22H21N3O2 — CID 46514714

IUPACN-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccnc1
InChIInChI=1S/C22H21N3O2/c1-16(25(2)22(27)19-11-7-13-23-15-19)18-10-6-12-20(14-18)24-21(26)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,24,26)
InChIKeySCWGTSJNEXKPFZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide

N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 46514714) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID46514714
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccnc1
InChIInChI=1S/C22H21N3O2/c1-16(25(2)22(27)19-11-7-13-23-15-19)18-10-6-12-20(14-18)24-21(26)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,24,26)
InChIKeySCWGTSJNEXKPFZ-UHFFFAOYSA-N
XLogP4.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 31869991
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
CID 31870263
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46549850
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
N-[3-[1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-methylamino]ethyl]phenyl]benzamide
CID 46533575

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide (CID 46514714) is N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide is CC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccnc1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is SCWGTSJNEXKPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(25(2)22(27)19-11-7-13-23-15-19)18-10-6-12-20(14-18)24-21(26)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,24,26).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 46514714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).