2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide

C16H17N3O2 — CID 113167103

IUPAC2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-13(20)19(15-7-3-2-4-8-15)12-16(21)18-11-14-6-5-9-17-10-14/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyXTZKZECYOXYMRG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.75
Rot. Bonds5

About 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113167103) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113167103
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-13(20)19(15-7-3-2-4-8-15)12-16(21)18-11-14-6-5-9-17-10-14/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyXTZKZECYOXYMRG-UHFFFAOYSA-N
XLogP1.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113179220
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
CID 113177894
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 113179357
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 113167103) is 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1cccnc1)c1ccccc1.
What is the InChIKey of 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XTZKZECYOXYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-13(20)19(15-7-3-2-4-8-15)12-16(21)18-11-14-6-5-9-17-10-14/h2-10H,11-12H2,1H3,(H,18,21).
What are the key properties of 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113167103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).