3-methoxy-N-pyridin-3-ylbenzamide

C13H12N2O2 — CID 777049

IUPAC3-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-6-2-4-10(8-12)13(16)15-11-5-3-7-14-9-11/h2-9H,1H3,(H,15,16)
InChIKeyYXELZTXMRUJORF-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.34
Rot. Bonds3

About 3-methoxy-N-pyridin-3-ylbenzamide

3-methoxy-N-pyridin-3-ylbenzamide (PubChem CID 777049) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-methoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-pyridin-3-ylbenzamide
PubChem CID777049
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-6-2-4-10(8-12)13(16)15-11-5-3-7-14-9-11/h2-9H,1H3,(H,15,16)
InChIKeyYXELZTXMRUJORF-UHFFFAOYSA-N
XLogP2.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-methoxy-N-pyridin-3-ylbenzamide (CID 777049) is 3-methoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-methoxy-N-pyridin-3-ylbenzamide is COc1cccc(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 3-methoxy-N-pyridin-3-ylbenzamide?
The InChIKey is YXELZTXMRUJORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-6-2-4-10(8-12)13(16)15-11-5-3-7-14-9-11/h2-9H,1H3,(H,15,16).
What are the key properties of 3-methoxy-N-pyridin-3-ylbenzamide?
3-methoxy-N-pyridin-3-ylbenzamide has a molecular weight of 228.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 777049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).