3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide

C16H19N3O2 — CID 120502960

IUPAC3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-11(12(2)17)16(20)19-13-8-9-15(18-10-13)21-14-6-4-3-5-7-14/h3-12H,17H2,1-2H3,(H,19,20)
InChIKeyRLERCONJEGPITJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide

3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide (PubChem CID 120502960) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
PubChem CID120502960
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H19N3O2/c1-11(12(2)17)16(20)19-13-8-9-15(18-10-13)21-14-6-4-3-5-7-14/h3-12H,17H2,1-2H3,(H,19,20)
InChIKeyRLERCONJEGPITJ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide?
The IUPAC name of 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide (CID 120502960) is 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide?
The canonical SMILES for 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide is CC(N)C(C)C(=O)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide?
The InChIKey is RLERCONJEGPITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(12(2)17)16(20)19-13-8-9-15(18-10-13)21-14-6-4-3-5-7-14/h3-12H,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide?
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide has a molecular weight of 285.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide is sourced from PubChem (CID 120502960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).