1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone

C18H22N2O2 — CID 126469961

IUPAC1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(OCCCN(C)C)nc2)c1
InChIInChI=1S/C18H22N2O2/c1-14(21)15-6-4-7-16(12-15)17-8-9-18(19-13-17)22-11-5-10-20(2)3/h4,6-9,12-13H,5,10-11H2,1-3H3
InChIKeyCNLWHUGUARHKDG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.28
Rot. Bonds7

About 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone

1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone (PubChem CID 126469961) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
PubChem CID126469961
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(OCCCN(C)C)nc2)c1
InChIInChI=1S/C18H22N2O2/c1-14(21)15-6-4-7-16(12-15)17-8-9-18(19-13-17)22-11-5-10-20(2)3/h4,6-9,12-13H,5,10-11H2,1-3H3
InChIKeyCNLWHUGUARHKDG-UHFFFAOYSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone 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

3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 146089357
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087
N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine
CID 126470020
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
CID 163344818
4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 110454141
4-N-(3-bromophenyl)-6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]quinazoline-2,4-diamine
CID 69013791
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate
CID 70516529
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 118502955
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
CID 139314889
3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 142413761

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone (CID 126469961) is 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone is CC(=O)c1cccc(-c2ccc(OCCCN(C)C)nc2)c1.
What is the InChIKey of 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?
The InChIKey is CNLWHUGUARHKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(21)15-6-4-7-16(12-15)17-8-9-18(19-13-17)22-11-5-10-20(2)3/h4,6-9,12-13H,5,10-11H2,1-3H3.
What are the key properties of 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone?
1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 126469961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).