N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide

C21H20N2O2 — CID 109399422

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide
SMILESCc1c(C(=O)NCc2ccccc2CO)cccc1-c1ccccn1
InChIInChI=1S/C21H20N2O2/c1-15-18(20-11-4-5-12-22-20)9-6-10-19(15)21(25)23-13-16-7-2-3-8-17(16)14-24/h2-12,24H,13-14H2,1H3,(H,23,25)
InChIKeySZGZJEGGDCEPCI-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.48
Rot. Bonds5

About N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide (PubChem CID 109399422) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide
PubChem CID109399422
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide
SMILESCc1c(C(=O)NCc2ccccc2CO)cccc1-c1ccccn1
InChIInChI=1S/C21H20N2O2/c1-15-18(20-11-4-5-12-22-20)9-6-10-19(15)21(25)23-13-16-7-2-3-8-17(16)14-24/h2-12,24H,13-14H2,1H3,(H,23,25)
InChIKeySZGZJEGGDCEPCI-UHFFFAOYSA-N
XLogP3.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399313
2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid
CID 120527980
N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399496
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-[(1-methoxycyclobutyl)methyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 136521765
3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 142955446
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 97242872
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-nitrobenzamide
CID 110902393
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
N-(3-cyanothiolan-3-yl)-2-methyl-3-pyridin-2-ylbenzamide
CID 75389234
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
CID 153405908

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide (CID 109399422) is N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide is Cc1c(C(=O)NCc2ccccc2CO)cccc1-c1ccccn1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide?
The InChIKey is SZGZJEGGDCEPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-18(20-11-4-5-12-22-20)9-6-10-19(15)21(25)23-13-16-7-2-3-8-17(16)14-24/h2-12,24H,13-14H2,1H3,(H,23,25).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2-methyl-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 109399422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).