3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide

C15H17N3O2 — CID 107584422

IUPAC3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(NC(=O)CCOc2cccc(N)c2)c1
InChIInChI=1S/C15H17N3O2/c1-11-7-13(10-17-9-11)18-15(19)5-6-20-14-4-2-3-12(16)8-14/h2-4,7-10H,5-6,16H2,1H3,(H,18,19)
InChIKeyOQFXAFNFAMMODI-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide

3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide (PubChem CID 107584422) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
PubChem CID107584422
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(NC(=O)CCOc2cccc(N)c2)c1
InChIInChI=1S/C15H17N3O2/c1-11-7-13(10-17-9-11)18-15(19)5-6-20-14-4-2-3-12(16)8-14/h2-4,7-10H,5-6,16H2,1H3,(H,18,19)
InChIKeyOQFXAFNFAMMODI-UHFFFAOYSA-N
XLogP2.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
CID 66351848
3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 61464165
3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
CID 65486033
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
CID 61464065
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide (CID 107584422) is 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide is Cc1cncc(NC(=O)CCOc2cccc(N)c2)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide?
The InChIKey is OQFXAFNFAMMODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-7-13(10-17-9-11)18-15(19)5-6-20-14-4-2-3-12(16)8-14/h2-4,7-10H,5-6,16H2,1H3,(H,18,19).
What are the key properties of 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide?
3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 107584422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).