4-acetamido-N-(pyridin-3-ylmethyl)benzamide

C15H15N3O2 — CID 669478

IUPAC4-acetamido-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(19)18-14-6-4-13(5-7-14)15(20)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIHBQVETZJLSNMH-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.97
Rot. Bonds4

About 4-acetamido-N-(pyridin-3-ylmethyl)benzamide

4-acetamido-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 669478) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-acetamido-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(pyridin-3-ylmethyl)benzamide
PubChem CID669478
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-acetamido-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(19)18-14-6-4-13(5-7-14)15(20)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIHBQVETZJLSNMH-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.97
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-ylmethyl)benzamide?
The IUPAC name of 4-acetamido-N-(pyridin-3-ylmethyl)benzamide (CID 669478) is 4-acetamido-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-acetamido-N-(pyridin-3-ylmethyl)benzamide is CC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-acetamido-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IHBQVETZJLSNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(19)18-14-6-4-13(5-7-14)15(20)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-acetamido-N-(pyridin-3-ylmethyl)benzamide?
4-acetamido-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 269.30 g/mol, XLogP of 1.97, 4 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-ylmethyl)benzamide is sourced from PubChem (CID 669478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).