4-acetamido-N-pyridin-3-ylbenzamide

C14H13N3O2 — CID 654326

IUPAC4-acetamido-N-pyridin-3-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H13N3O2/c1-10(18)16-12-6-4-11(5-7-12)14(19)17-13-3-2-8-15-9-13/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyQLSVCVQMKNJUIO-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.29
Rot. Bonds3

About 4-acetamido-N-pyridin-3-ylbenzamide

4-acetamido-N-pyridin-3-ylbenzamide (PubChem CID 654326) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-acetamido-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-pyridin-3-ylbenzamide
PubChem CID654326
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-acetamido-N-pyridin-3-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C14H13N3O2/c1-10(18)16-12-6-4-11(5-7-12)14(19)17-13-3-2-8-15-9-13/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyQLSVCVQMKNJUIO-UHFFFAOYSA-N
XLogP2.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-acetamido-N-pyridin-3-ylbenzamide (CID 654326) is 4-acetamido-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-acetamido-N-pyridin-3-ylbenzamide is CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-acetamido-N-pyridin-3-ylbenzamide?
The InChIKey is QLSVCVQMKNJUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10(18)16-12-6-4-11(5-7-12)14(19)17-13-3-2-8-15-9-13/h2-9H,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-acetamido-N-pyridin-3-ylbenzamide?
4-acetamido-N-pyridin-3-ylbenzamide has a molecular weight of 255.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 654326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).