3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C17H21N3O — CID 28713762

IUPAC3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H21N3O/c1-20(13-10-14-8-11-19-12-9-14)17(21)7-6-15-4-2-3-5-16(15)18/h2-5,8-9,11-12H,6-7,10,13,18H2,1H3
InChIKeyMINXZMUPLBELMB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.30
Rot. Bonds6

About 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 28713762) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID28713762
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H21N3O/c1-20(13-10-14-8-11-19-12-9-14)17(21)7-6-15-4-2-3-5-16(15)18/h2-5,8-9,11-12H,6-7,10,13,18H2,1H3
InChIKeyMINXZMUPLBELMB-UHFFFAOYSA-N
XLogP2.30
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.30
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-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 28713762) is 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is MINXZMUPLBELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(13-10-14-8-11-19-12-9-14)17(21)7-6-15-4-2-3-5-16(15)18/h2-5,8-9,11-12H,6-7,10,13,18H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 28713762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).