6-amino-N-(1-pyridin-3-ylethyl)hexanamide

C13H21N3O — CID 43523747

IUPAC6-amino-N-(1-pyridin-3-ylethyl)hexanamide
SMILESCC(NC(=O)CCCCCN)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-11(12-6-5-9-15-10-12)16-13(17)7-3-2-4-8-14/h5-6,9-11H,2-4,7-8,14H2,1H3,(H,16,17)
InChIKeyLYDGAAFVTZXFCC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds7

About 6-amino-N-(1-pyridin-3-ylethyl)hexanamide

6-amino-N-(1-pyridin-3-ylethyl)hexanamide (PubChem CID 43523747) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-amino-N-(1-pyridin-3-ylethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1-pyridin-3-ylethyl)hexanamide
PubChem CID43523747
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-amino-N-(1-pyridin-3-ylethyl)hexanamide
SMILESCC(NC(=O)CCCCCN)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-11(12-6-5-9-15-10-12)16-13(17)7-3-2-4-8-14/h5-6,9-11H,2-4,7-8,14H2,1H3,(H,16,17)
InChIKeyLYDGAAFVTZXFCC-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-pyridin-3-ylethyl)hexanamide?
The IUPAC name of 6-amino-N-(1-pyridin-3-ylethyl)hexanamide (CID 43523747) is 6-amino-N-(1-pyridin-3-ylethyl)hexanamide.
What is the SMILES notation for 6-amino-N-(1-pyridin-3-ylethyl)hexanamide?
The canonical SMILES for 6-amino-N-(1-pyridin-3-ylethyl)hexanamide is CC(NC(=O)CCCCCN)c1cccnc1.
What is the InChIKey of 6-amino-N-(1-pyridin-3-ylethyl)hexanamide?
The InChIKey is LYDGAAFVTZXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(12-6-5-9-15-10-12)16-13(17)7-3-2-4-8-14/h5-6,9-11H,2-4,7-8,14H2,1H3,(H,16,17).
What are the key properties of 6-amino-N-(1-pyridin-3-ylethyl)hexanamide?
6-amino-N-(1-pyridin-3-ylethyl)hexanamide has a molecular weight of 235.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-pyridin-3-ylethyl)hexanamide is sourced from PubChem (CID 43523747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).