2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C20H18N2O2 — CID 776740

IUPAC2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-19-5-3-2-4-18(19)20(23)22-17-8-6-15(7-9-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyWUZBHFVSOTXJPF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.93
Rot. Bonds5

About 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 776740) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID776740
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-19-5-3-2-4-18(19)20(23)22-17-8-6-15(7-9-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyWUZBHFVSOTXJPF-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 776740) is 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is WUZBHFVSOTXJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-5-3-2-4-18(19)20(23)22-17-8-6-15(7-9-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 776740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).