(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide

C14H23N3O — CID 113357165

IUPAC(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-4-5-6-13(15)14(18)17(3)11(2)12-7-9-16-10-8-12/h7-11,13H,4-6,15H2,1-3H3/t11?,13-/m0/s1
InChIKeyOEYVZMHFDIWEJE-YUZLPWPTSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide

(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide (PubChem CID 113357165) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
PubChem CID113357165
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-4-5-6-13(15)14(18)17(3)11(2)12-7-9-16-10-8-12/h7-11,13H,4-6,15H2,1-3H3/t11?,13-/m0/s1
InChIKeyOEYVZMHFDIWEJE-YUZLPWPTSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 65227260
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
(2S)-2-amino-N-methyl-N-pyridin-4-ylpentanamide
CID 107570953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide (CID 113357165) is (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide is CCCC[C@H](N)C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide?
The InChIKey is OEYVZMHFDIWEJE-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-6-13(15)14(18)17(3)11(2)12-7-9-16-10-8-12/h7-11,13H,4-6,15H2,1-3H3/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide?
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide has a molecular weight of 249.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide is sourced from PubChem (CID 113357165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).