3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide

C16H19N3O2 — CID 119852373

IUPAC3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CC(C)N)cn2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-3-6-14(7-4-11)21-16-8-5-13(10-18-16)19-15(20)9-12(2)17/h3-8,10,12H,9,17H2,1-2H3,(H,19,20)
InChIKeyVHKKJPHXWCBVDB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.86
Rot. Bonds5

About 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide

3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide (PubChem CID 119852373) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
PubChem CID119852373
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CC(C)N)cn2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-3-6-14(7-4-11)21-16-8-5-13(10-18-16)19-15(20)9-12(2)17/h3-8,10,12H,9,17H2,1-2H3,(H,19,20)
InChIKeyVHKKJPHXWCBVDB-UHFFFAOYSA-N
XLogP2.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
2-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120798308
[6-(4-methylphenoxy)-3-pyridinyl]hydrazine
CID 69019702
N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide
CID 42691212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide?
The IUPAC name of 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide (CID 119852373) is 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide is Cc1ccc(Oc2ccc(NC(=O)CC(C)N)cn2)cc1.
What is the InChIKey of 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide?
The InChIKey is VHKKJPHXWCBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-3-6-14(7-4-11)21-16-8-5-13(10-18-16)19-15(20)9-12(2)17/h3-8,10,12H,9,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide?
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide has a molecular weight of 285.35 g/mol, XLogP of 2.86, 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-(4-methylphenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 119852373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).