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

C20H18N2O2 — CID 11537005

IUPACN-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C20H18N2O2/c1-24-19-4-2-3-15(13-19)14-22-20(23)18-7-5-16(6-8-18)17-9-11-21-12-10-17/h2-13H,14H2,1H3,(H,22,23)
InChIKeyJBLPUDJLELBRHC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.69
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide (PubChem CID 11537005) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
PubChem CID11537005
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C20H18N2O2/c1-24-19-4-2-3-15(13-19)14-22-20(23)18-7-5-16(6-8-18)17-9-11-21-12-10-17/h2-13H,14H2,1H3,(H,22,23)
InChIKeyJBLPUDJLELBRHC-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide (CID 11537005) is N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide is COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The InChIKey is JBLPUDJLELBRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-4-2-3-15(13-19)14-22-20(23)18-7-5-16(6-8-18)17-9-11-21-12-10-17/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
N-[(3-methoxyphenyl)methyl]-4-pyridin-4-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-4-ylbenzamide is sourced from PubChem (CID 11537005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).