2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C16H19N3O — CID 28711694

IUPAC2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-2-4-15(17)5-3-14/h2-7,9-10H,8,11-12,17H2,1H3
InChIKeyXHFURFNVBJHFMF-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.91
Rot. Bonds5

About 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 28711694) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID28711694
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-2-4-15(17)5-3-14/h2-7,9-10H,8,11-12,17H2,1H3
InChIKeyXHFURFNVBJHFMF-UHFFFAOYSA-N
XLogP1.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110773977
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 28711694) is 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is XHFURFNVBJHFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-2-4-15(17)5-3-14/h2-7,9-10H,8,11-12,17H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 28711694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).