3-ethoxy-N-pyridin-4-ylbenzamide

C14H14N2O2 — CID 2970821

IUPAC3-ethoxy-N-pyridin-4-ylbenzamide
SMILESCCOc1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C14H14N2O2/c1-2-18-13-5-3-4-11(10-13)14(17)16-12-6-8-15-9-7-12/h3-10H,2H2,1H3,(H,15,16,17)
InChIKeyXZMCVEFJVQOFSZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.73
Rot. Bonds4

About 3-ethoxy-N-pyridin-4-ylbenzamide

3-ethoxy-N-pyridin-4-ylbenzamide (PubChem CID 2970821) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-ethoxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-pyridin-4-ylbenzamide
PubChem CID2970821
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-ethoxy-N-pyridin-4-ylbenzamide
SMILESCCOc1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C14H14N2O2/c1-2-18-13-5-3-4-11(10-13)14(17)16-12-6-8-15-9-7-12/h3-10H,2H2,1H3,(H,15,16,17)
InChIKeyXZMCVEFJVQOFSZ-UHFFFAOYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-ethoxy-N-pyridin-4-ylbenzamide (CID 2970821) is 3-ethoxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-ethoxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-ethoxy-N-pyridin-4-ylbenzamide is CCOc1cccc(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 3-ethoxy-N-pyridin-4-ylbenzamide?
The InChIKey is XZMCVEFJVQOFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-18-13-5-3-4-11(10-13)14(17)16-12-6-8-15-9-7-12/h3-10H,2H2,1H3,(H,15,16,17).
What are the key properties of 3-ethoxy-N-pyridin-4-ylbenzamide?
3-ethoxy-N-pyridin-4-ylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 2970821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).