1-[3-(cyclopropylamino)propyl]pyridin-4-one

C11H16N2O — CID 62880506

IUPAC1-[3-(cyclopropylamino)propyl]pyridin-4-one
SMILESO=c1ccn(CCCNC2CC2)cc1
InChIInChI=1S/C11H16N2O/c14-11-4-8-13(9-5-11)7-1-6-12-10-2-3-10/h4-5,8-10,12H,1-3,6-7H2
InChIKeyKFOAXAKXOUIRRT-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.99
Rot. Bonds5

About 1-[3-(cyclopropylamino)propyl]pyridin-4-one

1-[3-(cyclopropylamino)propyl]pyridin-4-one (PubChem CID 62880506) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]pyridin-4-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]pyridin-4-one
PubChem CID62880506
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[3-(cyclopropylamino)propyl]pyridin-4-one
SMILESO=c1ccn(CCCNC2CC2)cc1
InChIInChI=1S/C11H16N2O/c14-11-4-8-13(9-5-11)7-1-6-12-10-2-3-10/h4-5,8-10,12H,1-3,6-7H2
InChIKeyKFOAXAKXOUIRRT-UHFFFAOYSA-N
XLogP0.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(cyclopropylamino)propyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propyl]pyridin-4-one?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]pyridin-4-one (CID 62880506) is 1-[3-(cyclopropylamino)propyl]pyridin-4-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]pyridin-4-one?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]pyridin-4-one is O=c1ccn(CCCNC2CC2)cc1.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]pyridin-4-one?
The InChIKey is KFOAXAKXOUIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-4-8-13(9-5-11)7-1-6-12-10-2-3-10/h4-5,8-10,12H,1-3,6-7H2.
What are the key properties of 1-[3-(cyclopropylamino)propyl]pyridin-4-one?
1-[3-(cyclopropylamino)propyl]pyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]pyridin-4-one is sourced from PubChem (CID 62880506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).