3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C16H17N3O2 — CID 41042353

IUPAC3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-11(15-8-3-4-9-17-15)18-16(21)13-6-5-7-14(10-13)19-12(2)20/h3-11H,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyZIHCOBLSCZTZIO-NSHDSACASA-N
MW283.33 g/mol
LogP2.53
Rot. Bonds4

About 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide

3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 41042353) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID41042353
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-11(15-8-3-4-9-17-15)18-16(21)13-6-5-7-14(10-13)19-12(2)20/h3-11H,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyZIHCOBLSCZTZIO-NSHDSACASA-N
XLogP2.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 43045588
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 41042353) is 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide is CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccn2)c1.
What is the InChIKey of 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is ZIHCOBLSCZTZIO-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(15-8-3-4-9-17-15)18-16(21)13-6-5-7-14(10-13)19-12(2)20/h3-11H,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 41042353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).