(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide

C13H21N3O — CID 103831911

IUPAC(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-3-4-7-12(14)13(17)16-10(2)11-6-5-8-15-9-11/h5-6,8-10,12H,3-4,7,14H2,1-2H3,(H,16,17)/t10?,12-/m0/s1
InChIKeyXMVAHBOQEJEPLZ-KFJBMODSSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds6

About (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide

(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide (PubChem CID 103831911) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
PubChem CID103831911
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-3-4-7-12(14)13(17)16-10(2)11-6-5-8-15-9-11/h5-6,8-10,12H,3-4,7,14H2,1-2H3,(H,16,17)/t10?,12-/m0/s1
InChIKeyXMVAHBOQEJEPLZ-KFJBMODSSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide (CID 103831911) is (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide is CCCC[C@H](N)C(=O)NC(C)c1cccnc1.
What is the InChIKey of (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide?
The InChIKey is XMVAHBOQEJEPLZ-KFJBMODSSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-7-12(14)13(17)16-10(2)11-6-5-8-15-9-11/h5-6,8-10,12H,3-4,7,14H2,1-2H3,(H,16,17)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide?
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide has a molecular weight of 235.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide is sourced from PubChem (CID 103831911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).