4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide

C16H17N3O2 — CID 18107584

IUPAC4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-12(20)18-10-13-5-7-14(8-6-13)16(21)19-11-15-4-2-3-9-17-15/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyQZEOUFIUOMCVTA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.65
Rot. Bonds5

About 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide

4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 18107584) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID18107584
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-12(20)18-10-13-5-7-14(8-6-13)16(21)19-11-15-4-2-3-9-17-15/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyQZEOUFIUOMCVTA-UHFFFAOYSA-N
XLogP1.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 18107584) is 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide is CC(=O)NCc1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QZEOUFIUOMCVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(20)18-10-13-5-7-14(8-6-13)16(21)19-11-15-4-2-3-9-17-15/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide?
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 18107584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).