N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide

C20H18N2O2 — CID 59673307

IUPACN-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C20H18N2O2/c1-24-18-6-4-5-15(13-18)14-22-20(23)17-10-8-16(9-11-17)19-7-2-3-12-21-19/h2-13H,14H2,1H3,(H,22,23)
InChIKeyJAQLROFTISJWTH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.69
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide

N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide (PubChem CID 59673307) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
PubChem CID59673307
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C20H18N2O2/c1-24-18-6-4-5-15(13-18)14-22-20(23)17-10-8-16(9-11-17)19-7-2-3-12-21-19/h2-13H,14H2,1H3,(H,22,23)
InChIKeyJAQLROFTISJWTH-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one
CID 143032683
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide (CID 59673307) is N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide is COc1cccc(CNC(=O)c2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide?
The InChIKey is JAQLROFTISJWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-18-6-4-5-15(13-18)14-22-20(23)17-10-8-16(9-11-17)19-7-2-3-12-21-19/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide?
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 59673307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).