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

C17H21N3O — CID 43309212

IUPAC3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-20(12-10-16-7-2-3-11-19-16)17(21)9-8-14-5-4-6-15(18)13-14/h2-7,11,13H,8-10,12,18H2,1H3
InChIKeyHNMKIWXSQAUESD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.30
Rot. Bonds6

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

3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 43309212) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID43309212
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-20(12-10-16-7-2-3-11-19-16)17(21)9-8-14-5-4-6-15(18)13-14/h2-7,11,13H,8-10,12,18H2,1H3
InChIKeyHNMKIWXSQAUESD-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-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83273950
2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
CID 119873300
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
2-benzyl-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoic acid
CID 19785085
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 43309212) is 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is HNMKIWXSQAUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(12-10-16-7-2-3-11-19-16)17(21)9-8-14-5-4-6-15(18)13-14/h2-7,11,13H,8-10,12,18H2,1H3.
What are the key properties of 3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-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-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 43309212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).