1-[2-(pentylamino)ethyl]pyridin-4-one

C12H20N2O — CID 62881028

IUPAC1-[2-(pentylamino)ethyl]pyridin-4-one
SMILESCCCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-13-8-11-14-9-5-12(15)6-10-14/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyADKVUUZZFGIJIZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.63
Rot. Bonds7

About 1-[2-(pentylamino)ethyl]pyridin-4-one

1-[2-(pentylamino)ethyl]pyridin-4-one (PubChem CID 62881028) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[2-(pentylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(pentylamino)ethyl]pyridin-4-one
PubChem CID62881028
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[2-(pentylamino)ethyl]pyridin-4-one
SMILESCCCCCNCCn1ccc(=O)cc1
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-13-8-11-14-9-5-12(15)6-10-14/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyADKVUUZZFGIJIZ-UHFFFAOYSA-N
XLogP1.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(pentylamino)ethyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methoxyethylamino)ethyl]pyridin-4-one
CID 62881033
1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
CID 63811359
1-[3-(propylamino)butyl]pyridin-4-one
CID 62879649
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191
5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one
CID 62562112
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-pentylpentan-1-amine;sulfane
CID 173223078
N-pentylpentan-1-amine;hydrochloride
CID 520044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pentylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(pentylamino)ethyl]pyridin-4-one (CID 62881028) is 1-[2-(pentylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(pentylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(pentylamino)ethyl]pyridin-4-one is CCCCCNCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(pentylamino)ethyl]pyridin-4-one?
The InChIKey is ADKVUUZZFGIJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-7-13-8-11-14-9-5-12(15)6-10-14/h5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of 1-[2-(pentylamino)ethyl]pyridin-4-one?
1-[2-(pentylamino)ethyl]pyridin-4-one has a molecular weight of 208.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pentylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62881028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).