5-amino-N-(2-pyridin-2-ylethyl)hexanamide

C13H21N3O — CID 82848295

IUPAC5-amino-N-(2-pyridin-2-ylethyl)hexanamide
SMILESCC(N)CCCC(=O)NCCc1ccccn1
InChIInChI=1S/C13H21N3O/c1-11(14)5-4-7-13(17)16-10-8-12-6-2-3-9-15-12/h2-3,6,9,11H,4-5,7-8,10,14H2,1H3,(H,16,17)
InChIKeyJLKRUDONKZNYSI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.26
Rot. Bonds7

About 5-amino-N-(2-pyridin-2-ylethyl)hexanamide

5-amino-N-(2-pyridin-2-ylethyl)hexanamide (PubChem CID 82848295) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-N-(2-pyridin-2-ylethyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(2-pyridin-2-ylethyl)hexanamide
PubChem CID82848295
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-N-(2-pyridin-2-ylethyl)hexanamide
SMILESCC(N)CCCC(=O)NCCc1ccccn1
InChIInChI=1S/C13H21N3O/c1-11(14)5-4-7-13(17)16-10-8-12-6-2-3-9-15-12/h2-3,6,9,11H,4-5,7-8,10,14H2,1H3,(H,16,17)
InChIKeyJLKRUDONKZNYSI-UHFFFAOYSA-N
XLogP1.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide
CID 131857193
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-pyridin-2-ylethyl)hexanamide?
The IUPAC name of 5-amino-N-(2-pyridin-2-ylethyl)hexanamide (CID 82848295) is 5-amino-N-(2-pyridin-2-ylethyl)hexanamide.
What is the SMILES notation for 5-amino-N-(2-pyridin-2-ylethyl)hexanamide?
The canonical SMILES for 5-amino-N-(2-pyridin-2-ylethyl)hexanamide is CC(N)CCCC(=O)NCCc1ccccn1.
What is the InChIKey of 5-amino-N-(2-pyridin-2-ylethyl)hexanamide?
The InChIKey is JLKRUDONKZNYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(14)5-4-7-13(17)16-10-8-12-6-2-3-9-15-12/h2-3,6,9,11H,4-5,7-8,10,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(2-pyridin-2-ylethyl)hexanamide?
5-amino-N-(2-pyridin-2-ylethyl)hexanamide has a molecular weight of 235.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-pyridin-2-ylethyl)hexanamide is sourced from PubChem (CID 82848295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).