2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide

C16H16N2O2 — CID 173269959

IUPAC2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C=O)c1ccccc1C(=O)NCc1ccccn1
InChIInChI=1S/C16H16N2O2/c1-12(11-19)14-7-2-3-8-15(14)16(20)18-10-13-6-4-5-9-17-13/h2-9,11-12H,10H2,1H3,(H,18,20)
InChIKeyGGBYTKWEARBOLD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.31
Rot. Bonds5

About 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide

2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 173269959) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID173269959
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C=O)c1ccccc1C(=O)NCc1ccccn1
InChIInChI=1S/C16H16N2O2/c1-12(11-19)14-7-2-3-8-15(14)16(20)18-10-13-6-4-5-9-17-13/h2-9,11-12H,10H2,1H3,(H,18,20)
InChIKeyGGBYTKWEARBOLD-UHFFFAOYSA-N
XLogP2.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167697
N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 102382502
N-(pyridin-2-ylmethyl)-2-[3-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102035338

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 173269959) is 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide is CC(C=O)c1ccccc1C(=O)NCc1ccccn1.
What is the InChIKey of 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is GGBYTKWEARBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(11-19)14-7-2-3-8-15(14)16(20)18-10-13-6-4-5-9-17-13/h2-9,11-12H,10H2,1H3,(H,18,20).
What are the key properties of 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxopropan-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 173269959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).