3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C16H19N3O2 — CID 62322289

IUPAC3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCOc2cccc(N)c2)n1
InChIInChI=1S/C16H19N3O2/c1-12-4-2-6-14(19-12)11-18-16(20)8-9-21-15-7-3-5-13(17)10-15/h2-7,10H,8-9,11,17H2,1H3,(H,18,20)
InChIKeyYOGVGAQVENREHF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.06
Rot. Bonds6

About 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide

3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 62322289) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID62322289
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCOc2cccc(N)c2)n1
InChIInChI=1S/C16H19N3O2/c1-12-4-2-6-14(19-12)11-18-16(20)8-9-21-15-7-3-5-13(17)10-15/h2-7,10H,8-9,11,17H2,1H3,(H,18,20)
InChIKeyYOGVGAQVENREHF-UHFFFAOYSA-N
XLogP2.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.06
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-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 87041312
3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 115988957
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
CID 61401540
3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 61464165
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 62322289) is 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is Cc1cccc(CNC(=O)CCOc2cccc(N)c2)n1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is YOGVGAQVENREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-4-2-6-14(19-12)11-18-16(20)8-9-21-15-7-3-5-13(17)10-15/h2-7,10H,8-9,11,17H2,1H3,(H,18,20).
What are the key properties of 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 62322289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).