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

C19H16N2O2 — CID 134475022

IUPACN-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESO=C(NCc1cccc(O)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)
InChIKeyGRCSRBVHHUZIOU-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.38
Rot. Bonds4

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

N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide (PubChem CID 134475022) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
PubChem CID134475022
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESO=C(NCc1cccc(O)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)
InChIKeyGRCSRBVHHUZIOU-UHFFFAOYSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide (CID 134475022) is N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide is O=C(NCc1cccc(O)c1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The InChIKey is GRCSRBVHHUZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 134475022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).