2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide

C17H17N3O4 — CID 113178253

IUPAC2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17N3O4/c1-12(21)20(14-2-3-15-16(8-14)24-11-23-15)10-17(22)19-9-13-4-6-18-7-5-13/h2-8H,9-11H2,1H3,(H,19,22)
InChIKeyUOABKPSLQKAQCJ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.48
Rot. Bonds5

About 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113178253) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113178253
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17N3O4/c1-12(21)20(14-2-3-15-16(8-14)24-11-23-15)10-17(22)19-9-13-4-6-18-7-5-13/h2-8H,9-11H2,1H3,(H,19,22)
InChIKeyUOABKPSLQKAQCJ-UHFFFAOYSA-N
XLogP1.48
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178426
2-(N-acetyl-4-methylanilino)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113167686
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
2-[N-acetyl-4-(diethylamino)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113176854
2-(N-acetyl-3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113168470
2-(N-acetyl-3,5-dimethylanilino)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113168466
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113132842
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 113175276
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113151374
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide (CID 113178253) is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccncc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is UOABKPSLQKAQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12(21)20(14-2-3-15-16(8-14)24-11-23-15)10-17(22)19-9-13-4-6-18-7-5-13/h2-8H,9-11H2,1H3,(H,19,22).
What are the key properties of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide?
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113178253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).