(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide

C17H21N3O2 — CID 119849184

IUPAC(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-15(18)17(21)20-13-8-9-16(19-11-13)22-14-6-4-3-5-7-14/h3-9,11-12,15H,10,18H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyOSXGKDJJYIAFPC-HNNXBMFYSA-N
MW299.37 g/mol
LogP3.19
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide

(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide (PubChem CID 119849184) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
PubChem CID119849184
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-15(18)17(21)20-13-8-9-16(19-11-13)22-14-6-4-3-5-7-14/h3-9,11-12,15H,10,18H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyOSXGKDJJYIAFPC-HNNXBMFYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide (CID 119849184) is (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide?
The InChIKey is OSXGKDJJYIAFPC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)10-15(18)17(21)20-13-8-9-16(19-11-13)22-14-6-4-3-5-7-14/h3-9,11-12,15H,10,18H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide?
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide has a molecular weight of 299.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide is sourced from PubChem (CID 119849184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).