4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide

C17H21N3O2 — CID 119888503

IUPAC4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
SMILESCc1cccc(Oc2ccc(NC(=O)CCCN)cn2)c1C
InChIInChI=1S/C17H21N3O2/c1-12-5-3-6-15(13(12)2)22-17-9-8-14(11-19-17)20-16(21)7-4-10-18/h3,5-6,8-9,11H,4,7,10,18H2,1-2H3,(H,20,21)
InChIKeyJFMAZOIIDTZTTE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds6

About 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide

4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide (PubChem CID 119888503) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
PubChem CID119888503
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
SMILESCc1cccc(Oc2ccc(NC(=O)CCCN)cn2)c1C
InChIInChI=1S/C17H21N3O2/c1-12-5-3-6-15(13(12)2)22-17-9-8-14(11-19-17)20-16(21)7-4-10-18/h3,5-6,8-9,11H,4,7,10,18H2,1-2H3,(H,20,21)
InChIKeyJFMAZOIIDTZTTE-UHFFFAOYSA-N
XLogP3.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 99808384
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192
(E)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232117
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
The IUPAC name of 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide (CID 119888503) is 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide is Cc1cccc(Oc2ccc(NC(=O)CCCN)cn2)c1C.
What is the InChIKey of 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
The InChIKey is JFMAZOIIDTZTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-5-3-6-15(13(12)2)22-17-9-8-14(11-19-17)20-16(21)7-4-10-18/h3,5-6,8-9,11H,4,7,10,18H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide has a molecular weight of 299.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 119888503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).