3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one

C25H21N3O2 — CID 159088422

IUPAC3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one
SMILESCc1cc(-c2ccc(CCC(=O)c3ccc(Oc4ccccc4)nc3)cn2)ccn1
InChIInChI=1S/C25H21N3O2/c1-18-15-20(13-14-26-18)23-10-7-19(16-27-23)8-11-24(29)21-9-12-25(28-17-21)30-22-5-3-2-4-6-22/h2-7,9-10,12-17H,8,11H2,1H3
InChIKeyYSXBWXWLZYRVIT-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.45
Rot. Bonds7

About 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one

3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one (PubChem CID 159088422) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one
PubChem CID159088422
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one
SMILESCc1cc(-c2ccc(CCC(=O)c3ccc(Oc4ccccc4)nc3)cn2)ccn1
InChIInChI=1S/C25H21N3O2/c1-18-15-20(13-14-26-18)23-10-7-19(16-27-23)8-11-24(29)21-9-12-25(28-17-21)30-22-5-3-2-4-6-22/h2-7,9-10,12-17H,8,11H2,1H3
InChIKeyYSXBWXWLZYRVIT-UHFFFAOYSA-N
XLogP5.45
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one with MolForge

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Related Compounds

6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
2-phenyl-5-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]pyridine
CID 164953728
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 161119068
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
CID 138465283
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
5-(2-methyl-4-pyridinyl)-2-phenoxypyrimidine
CID 162507638
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one (CID 159088422) is 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one is Cc1cc(-c2ccc(CCC(=O)c3ccc(Oc4ccccc4)nc3)cn2)ccn1.
What is the InChIKey of 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one?
The InChIKey is YSXBWXWLZYRVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-18-15-20(13-14-26-18)23-10-7-19(16-27-23)8-11-24(29)21-9-12-25(28-17-21)30-22-5-3-2-4-6-22/h2-7,9-10,12-17H,8,11H2,1H3.
What are the key properties of 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one?
3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one has a molecular weight of 395.46 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(6-phenoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 159088422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).