3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide

C13H12N2O2 — CID 53217910

IUPAC3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ncccc2O)c1
InChIInChI=1S/C13H12N2O2/c1-14-13(17)10-5-2-4-9(8-10)12-11(16)6-3-7-15-12/h2-8,16H,1H3,(H,14,17)
InChIKeyYSZKHASCHADPMP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.81
Rot. Bonds2

About 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide

3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide (PubChem CID 53217910) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
PubChem CID53217910
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ncccc2O)c1
InChIInChI=1S/C13H12N2O2/c1-14-13(17)10-5-2-4-9(8-10)12-11(16)6-3-7-15-12/h2-8,16H,1H3,(H,14,17)
InChIKeyYSZKHASCHADPMP-UHFFFAOYSA-N
XLogP1.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide?
The IUPAC name of 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide (CID 53217910) is 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide?
The canonical SMILES for 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide is CNC(=O)c1cccc(-c2ncccc2O)c1.
What is the InChIKey of 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide?
The InChIKey is YSZKHASCHADPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-14-13(17)10-5-2-4-9(8-10)12-11(16)6-3-7-15-12/h2-8,16H,1H3,(H,14,17).
What are the key properties of 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide?
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide has a molecular weight of 228.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 53217910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).