5-amino-1-pyridin-4-ylpentan-2-one

C10H14N2O — CID 116553409

IUPAC5-amino-1-pyridin-4-ylpentan-2-one
SMILESNCCCC(=O)Cc1ccncc1
InChIInChI=1S/C10H14N2O/c11-5-1-2-10(13)8-9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2
InChIKeyVBVUMIYYUPETRG-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.93
Rot. Bonds5

About 5-amino-1-pyridin-4-ylpentan-2-one

5-amino-1-pyridin-4-ylpentan-2-one (PubChem CID 116553409) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-amino-1-pyridin-4-ylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-pyridin-4-ylpentan-2-one
PubChem CID116553409
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-amino-1-pyridin-4-ylpentan-2-one
SMILESNCCCC(=O)Cc1ccncc1
InChIInChI=1S/C10H14N2O/c11-5-1-2-10(13)8-9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2
InChIKeyVBVUMIYYUPETRG-UHFFFAOYSA-N
XLogP0.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-pyridin-4-ylpentan-2-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

7-methyl-1-pyridin-4-yloctan-2-one
CID 160568287
6-amino-1-phenylhexan-2-one
CID 57063081
7-amino-1-(4-hydroxyphenyl)heptan-2-one
CID 116550069
6-amino-1-(4-bromophenyl)hexan-2-one
CID 116572013
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
3-oxo-4-pyridin-4-ylbutanenitrile
CID 57109243
1-(dimethylamino)-3-pyridin-4-ylpropan-2-one
CID 79078210
1,1-difluoro-3-pyridin-4-ylpropan-2-one
CID 112699124
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pyridin-4-ylpentan-2-one?
The IUPAC name of 5-amino-1-pyridin-4-ylpentan-2-one (CID 116553409) is 5-amino-1-pyridin-4-ylpentan-2-one.
What is the SMILES notation for 5-amino-1-pyridin-4-ylpentan-2-one?
The canonical SMILES for 5-amino-1-pyridin-4-ylpentan-2-one is NCCCC(=O)Cc1ccncc1.
What is the InChIKey of 5-amino-1-pyridin-4-ylpentan-2-one?
The InChIKey is VBVUMIYYUPETRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-5-1-2-10(13)8-9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2.
What are the key properties of 5-amino-1-pyridin-4-ylpentan-2-one?
5-amino-1-pyridin-4-ylpentan-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pyridin-4-ylpentan-2-one is sourced from PubChem (CID 116553409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).