[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

C20H17FN2O2 — CID 132991415

IUPAC[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCN(C)c1cccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3
InChIKeyXIKKCJDNMCSKRW-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.89
Rot. Bonds4

About [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone

[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (PubChem CID 132991415) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
PubChem CID132991415
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCN(C)c1cccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3
InChIKeyXIKKCJDNMCSKRW-UHFFFAOYSA-N
XLogP3.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone 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 [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone (CID 132991415) is [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is CN(C)c1cccc(-c2cccc(C(=O)c3ccc(F)c(O)c3)n2)c1.
What is the InChIKey of [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
The InChIKey is XIKKCJDNMCSKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-23(2)15-6-3-5-13(11-15)17-7-4-8-18(22-17)20(25)14-9-10-16(21)19(24)12-14/h3-12,24H,1-2H3.
What are the key properties of [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone?
[6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone has a molecular weight of 336.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(dimethylamino)phenyl]-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 132991415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).