6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one

C15H23N3O — CID 43579466

IUPAC6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C15H23N3O/c16-9-3-1-2-8-15(19)18-11-5-7-14(18)13-6-4-10-17-12-13/h4,6,10,12,14H,1-3,5,7-9,11,16H2
InChIKeyMDDZPTKTMHWHAE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.26
Rot. Bonds6

About 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one

6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one (PubChem CID 43579466) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
PubChem CID43579466
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C15H23N3O/c16-9-3-1-2-8-15(19)18-11-5-7-14(18)13-6-4-10-17-12-13/h4,6,10,12,14H,1-3,5,7-9,11,16H2
InChIKeyMDDZPTKTMHWHAE-UHFFFAOYSA-N
XLogP2.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 65290350
6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
CID 154735172
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one (CID 43579466) is 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one is NCCCCCC(=O)N1CCCC1c1cccnc1.
What is the InChIKey of 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is MDDZPTKTMHWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-9-3-1-2-8-15(19)18-11-5-7-14(18)13-6-4-10-17-12-13/h4,6,10,12,14H,1-3,5,7-9,11,16H2.
What are the key properties of 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 43579466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).