1-(3-aminopropyl)pyridin-2-one;hydrochloride

C8H13ClN2O — CID 43810793

IUPAC1-(3-aminopropyl)pyridin-2-one;hydrochloride
SMILESCl.NCCCn1ccccc1=O
InChIInChI=1S/C8H12N2O.ClH/c9-5-3-7-10-6-2-1-4-8(10)11;/h1-2,4,6H,3,5,7,9H2;1H
InChIKeyZWKIRJQMDJQFGK-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.62
Rot. Bonds3

About 1-(3-aminopropyl)pyridin-2-one;hydrochloride

1-(3-aminopropyl)pyridin-2-one;hydrochloride (PubChem CID 43810793) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)pyridin-2-one;hydrochloride
PubChem CID43810793
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name1-(3-aminopropyl)pyridin-2-one;hydrochloride
SMILESCl.NCCCn1ccccc1=O
InChIInChI=1S/C8H12N2O.ClH/c9-5-3-7-10-6-2-1-4-8(10)11;/h1-2,4,6H,3,5,7,9H2;1H
InChIKeyZWKIRJQMDJQFGK-UHFFFAOYSA-N
XLogP0.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopropyl)pyridin-2-one;hydrochloride 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-Aminoethyl)pyridin-2(1H)-one
CID 16791350
5-Amino-1-ethyl-1,2-dihydropyridin-2-one
CID 20113107
1-(3-Aminopropyl)-1,2-dihydropyridin-2-one
CID 572935
5-Amino-1-propyl-1,2-dihydropyridin-2-one hydrochloride
CID 45791516
1-(2-Aminoethyl)-1,2-dihydropyridin-2-one dihydrochloride
CID 71755936
5-Amino-1-ethyl-1,2-dihydropyridin-2-one hydrochloride
CID 165652138
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
1-(3-Aminopropyl)-5-fluoro-1,2-dihydropyridin-2-one
CID 82146483
1-[3-(Chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
CID 89092388
1-(3-Amino-propyl)-3-trifluoromethyl-1H-pyridin-2-one. Hydrochloride salt
CID 131739538
1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
CID 141424034
5-Amino-1-propyl-1,2-dihydropyridin-2-one
CID 20114714

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyridin-2-one;hydrochloride?
The IUPAC name of 1-(3-aminopropyl)pyridin-2-one;hydrochloride (CID 43810793) is 1-(3-aminopropyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 1-(3-aminopropyl)pyridin-2-one;hydrochloride is Cl.NCCCn1ccccc1=O.
What is the InChIKey of 1-(3-aminopropyl)pyridin-2-one;hydrochloride?
The InChIKey is ZWKIRJQMDJQFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c9-5-3-7-10-6-2-1-4-8(10)11;/h1-2,4,6H,3,5,7,9H2;1H.
What are the key properties of 1-(3-aminopropyl)pyridin-2-one;hydrochloride?
1-(3-aminopropyl)pyridin-2-one;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 43810793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).