3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide

C17H21N3O — CID 120613150

IUPAC3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)c1ccncc1
InChIInChI=1S/C17H21N3O/c1-2-16(14-9-11-19-12-10-14)20-17(21)8-7-13-5-3-4-6-15(13)18/h3-6,9-12,16H,2,7-8,18H2,1H3,(H,20,21)
InChIKeyJIQYFKXHYBXWJP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.86
Rot. Bonds6

About 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide

3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide (PubChem CID 120613150) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
PubChem CID120613150
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)c1ccncc1
InChIInChI=1S/C17H21N3O/c1-2-16(14-9-11-19-12-10-14)20-17(21)8-7-13-5-3-4-6-15(13)18/h3-6,9-12,16H,2,7-8,18H2,1H3,(H,20,21)
InChIKeyJIQYFKXHYBXWJP-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
CID 120611695
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
CID 119884880
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride
CID 120611631
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
CID 120611247
3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
CID 120611610
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide (CID 120613150) is 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide is CCC(NC(=O)CCc1ccccc1N)c1ccncc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide?
The InChIKey is JIQYFKXHYBXWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-16(14-9-11-19-12-10-14)20-17(21)8-7-13-5-3-4-6-15(13)18/h3-6,9-12,16H,2,7-8,18H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide?
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide is sourced from PubChem (CID 120613150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).