1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one

C13H16N2O — CID 10560680

IUPAC1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one
SMILESCCC(=O)C1=CCCCN1c1ccccn1
InChIInChI=1S/C13H16N2O/c1-2-12(16)11-7-4-6-10-15(11)13-8-3-5-9-14-13/h3,5,7-9H,2,4,6,10H2,1H3
InChIKeyYSNOINISFMSTHN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.54
Rot. Bonds3

About 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one

1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one (PubChem CID 10560680) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one
PubChem CID10560680
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one
SMILESCCC(=O)C1=CCCCN1c1ccccn1
InChIInChI=1S/C13H16N2O/c1-2-12(16)11-7-4-6-10-15(11)13-8-3-5-9-14-13/h3,5,7-9H,2,4,6,10H2,1H3
InChIKeyYSNOINISFMSTHN-UHFFFAOYSA-N
XLogP2.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-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-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one
CID 134932730
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
2-ethoxy-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 75506654
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
CID 115102065
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
1-[4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 1094949

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one?
The IUPAC name of 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one (CID 10560680) is 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one.
What is the SMILES notation for 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one?
The canonical SMILES for 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one is CCC(=O)C1=CCCCN1c1ccccn1.
What is the InChIKey of 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one?
The InChIKey is YSNOINISFMSTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12(16)11-7-4-6-10-15(11)13-8-3-5-9-14-13/h3,5,7-9H,2,4,6,10H2,1H3.
What are the key properties of 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one?
1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one is sourced from PubChem (CID 10560680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).