4-(5-methoxy-3-pyridinyl)benzamide

C13H12N2O2 — CID 39817743

IUPAC4-(5-methoxy-3-pyridinyl)benzamide
SMILESCOc1cncc(-c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-6-11(7-15-8-12)9-2-4-10(5-3-9)13(14)16/h2-8H,1H3,(H2,14,16)
InChIKeyIVBVCUMTRUTIMK-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.86
Rot. Bonds3

About 4-(5-methoxy-3-pyridinyl)benzamide

4-(5-methoxy-3-pyridinyl)benzamide (PubChem CID 39817743) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(5-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(5-methoxy-3-pyridinyl)benzamide
PubChem CID39817743
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(5-methoxy-3-pyridinyl)benzamide
SMILESCOc1cncc(-c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-6-11(7-15-8-12)9-2-4-10(5-3-9)13(14)16/h2-8H,1H3,(H2,14,16)
InChIKeyIVBVCUMTRUTIMK-UHFFFAOYSA-N
XLogP1.86
TPSA65.21 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-(5-methoxy-3-pyridinyl)benzamide (CID 39817743) is 4-(5-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(5-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-(5-methoxy-3-pyridinyl)benzamide is COc1cncc(-c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-(5-methoxy-3-pyridinyl)benzamide?
The InChIKey is IVBVCUMTRUTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-6-11(7-15-8-12)9-2-4-10(5-3-9)13(14)16/h2-8H,1H3,(H2,14,16).
What are the key properties of 4-(5-methoxy-3-pyridinyl)benzamide?
4-(5-methoxy-3-pyridinyl)benzamide has a molecular weight of 228.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 39817743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).