4-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C19H16N2O — CID 46901614

IUPAC4-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C19H16N2O/c20-19(22)18-7-5-17(6-8-18)16-3-1-14(2-4-16)13-15-9-11-21-12-10-15/h1-12H,13H2,(H2,20,22)
InChIKeyIYXGEVQAAIDJAA-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.44
Rot. Bonds4

About 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide

4-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 46901614) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID46901614
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Cc3ccncc3)cc2)cc1
InChIInChI=1S/C19H16N2O/c20-19(22)18-7-5-17(6-8-18)16-3-1-14(2-4-16)13-15-9-11-21-12-10-15/h1-12H,13H2,(H2,20,22)
InChIKeyIYXGEVQAAIDJAA-UHFFFAOYSA-N
XLogP3.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 46901614) is 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(Cc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is IYXGEVQAAIDJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c20-19(22)18-7-5-17(6-8-18)16-3-1-14(2-4-16)13-15-9-11-21-12-10-15/h1-12H,13H2,(H2,20,22).
What are the key properties of 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
4-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 46901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).