2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C17H21N3O — CID 106590813

IUPAC2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCc1ccccn1)c1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-13(14-6-5-7-15(18)12-14)17(21)20(2)11-9-16-8-3-4-10-19-16/h3-8,10,12-13H,9,11,18H2,1-2H3
InChIKeyGHICASKWZULKKT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.47
Rot. Bonds5

About 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 106590813) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID106590813
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCc1ccccn1)c1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-13(14-6-5-7-15(18)12-14)17(21)20(2)11-9-16-8-3-4-10-19-16/h3-8,10,12-13H,9,11,18H2,1-2H3
InChIKeyGHICASKWZULKKT-UHFFFAOYSA-N
XLogP2.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309212
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
CID 71973637
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 106590813) is 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is CC(C(=O)N(C)CCc1ccccn1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is GHICASKWZULKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(14-6-5-7-15(18)12-14)17(21)20(2)11-9-16-8-3-4-10-19-16/h3-8,10,12-13H,9,11,18H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 106590813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).