3,4-dimethoxy-N-pyridin-4-ylbenzamide

C14H14N2O3 — CID 814761

IUPAC3,4-dimethoxy-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C14H14N2O3/c1-18-12-4-3-10(9-13(12)19-2)14(17)16-11-5-7-15-8-6-11/h3-9H,1-2H3,(H,15,16,17)
InChIKeyLUIFDCUGXBPAIW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.35
Rot. Bonds4

About 3,4-dimethoxy-N-pyridin-4-ylbenzamide

3,4-dimethoxy-N-pyridin-4-ylbenzamide (PubChem CID 814761) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3,4-dimethoxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-pyridin-4-ylbenzamide
PubChem CID814761
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3,4-dimethoxy-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C14H14N2O3/c1-18-12-4-3-10(9-13(12)19-2)14(17)16-11-5-7-15-8-6-11/h3-9H,1-2H3,(H,15,16,17)
InChIKeyLUIFDCUGXBPAIW-UHFFFAOYSA-N
XLogP2.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethoxy-N-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-pyridin-4-ylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-pyridin-4-ylbenzamide (CID 814761) is 3,4-dimethoxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-pyridin-4-ylbenzamide is COc1ccc(C(=O)Nc2ccncc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-pyridin-4-ylbenzamide?
The InChIKey is LUIFDCUGXBPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-12-4-3-10(9-13(12)19-2)14(17)16-11-5-7-15-8-6-11/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of 3,4-dimethoxy-N-pyridin-4-ylbenzamide?
3,4-dimethoxy-N-pyridin-4-ylbenzamide has a molecular weight of 258.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 814761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).