2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide

C17H18BrN3O2 — CID 113178011

IUPAC2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccn1)c1ccc(C)cc1Br
InChIInChI=1S/C17H18BrN3O2/c1-12-6-7-16(15(18)9-12)21(13(2)22)11-17(23)20-10-14-5-3-4-8-19-14/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyNPAAXSIAINVBBU-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.82
Rot. Bonds5

About 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113178011) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113178011
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccn1)c1ccc(C)cc1Br
InChIInChI=1S/C17H18BrN3O2/c1-12-6-7-16(15(18)9-12)21(13(2)22)11-17(23)20-10-14-5-3-4-8-19-14/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyNPAAXSIAINVBBU-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-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-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113178005
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113174542
2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113181594
2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
CID 113178016
3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113125018
3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113127697
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
5-bromo-N-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 47051943
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113177122
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 113178011) is 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccccn1)c1ccc(C)cc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NPAAXSIAINVBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-12-6-7-16(15(18)9-12)21(13(2)22)11-17(23)20-10-14-5-3-4-8-19-14/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 376.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113178011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).