4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide

C22H23N3O — CID 91784965

IUPAC4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CCc2ccccc2)Cc2cccnc2)cc1
InChIInChI=1S/C22H23N3O/c23-22(26)21-10-8-19(9-11-21)16-25(17-20-7-4-13-24-15-20)14-12-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16-17H2,(H2,23,26)
InChIKeyBOMHBRGJLNVSQE-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.43
Rot. Bonds8

About 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide

4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide (PubChem CID 91784965) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
PubChem CID91784965
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CCc2ccccc2)Cc2cccnc2)cc1
InChIInChI=1S/C22H23N3O/c23-22(26)21-10-8-19(9-11-21)16-25(17-20-7-4-13-24-15-20)14-12-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16-17H2,(H2,23,26)
InChIKeyBOMHBRGJLNVSQE-UHFFFAOYSA-N
XLogP3.43
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
4-(2-phenylethyl)benzamide
CID 23130460
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one
CID 166171937
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
CID 134700180
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
CID 63645116
4-(N-pyridin-3-ylanilino)benzamide
CID 123396260

Frequently Asked Questions

What is the IUPAC name of 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide?
The IUPAC name of 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide (CID 91784965) is 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide is NC(=O)c1ccc(CN(CCc2ccccc2)Cc2cccnc2)cc1.
What is the InChIKey of 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide?
The InChIKey is BOMHBRGJLNVSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c23-22(26)21-10-8-19(9-11-21)16-25(17-20-7-4-13-24-15-20)14-12-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16-17H2,(H2,23,26).
What are the key properties of 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide?
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 91784965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).