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

C17H21N3O2 — CID 119888495

IUPAC3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
SMILESCc1cccc(Oc2ccc(NC(=O)CC(C)N)cn2)c1C
InChIInChI=1S/C17H21N3O2/c1-11-5-4-6-15(13(11)3)22-17-8-7-14(10-19-17)20-16(21)9-12(2)18/h4-8,10,12H,9,18H2,1-3H3,(H,20,21)
InChIKeyNNLRQSPKWKHCCG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds5

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

3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide (PubChem CID 119888495) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
PubChem CID119888495
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
SMILESCc1cccc(Oc2ccc(NC(=O)CC(C)N)cn2)c1C
InChIInChI=1S/C17H21N3O2/c1-11-5-4-6-15(13(11)3)22-17-8-7-14(10-19-17)20-16(21)9-12(2)18/h4-8,10,12H,9,18H2,1-3H3,(H,20,21)
InChIKeyNNLRQSPKWKHCCG-UHFFFAOYSA-N
XLogP3.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250
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-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
(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-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
The IUPAC name of 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide (CID 119888495) is 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide is Cc1cccc(Oc2ccc(NC(=O)CC(C)N)cn2)c1C.
What is the InChIKey of 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
The InChIKey is NNLRQSPKWKHCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-5-4-6-15(13(11)3)22-17-8-7-14(10-19-17)20-16(21)9-12(2)18/h4-8,10,12H,9,18H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide?
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide has a molecular weight of 299.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 119888495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).