1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone

C24H18N4O2 — CID 91171818

IUPAC1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C(C)=O)nc(-c3ccccn3)c2-c2ccccn2)n1
InChIInChI=1S/C24H18N4O2/c1-15(29)18-10-7-11-19(27-18)17-14-22(16(2)30)28-24(21-9-4-6-13-26-21)23(17)20-8-3-5-12-25-20/h3-14H,1-2H3
InChIKeyWYEXKYYGFRDYJK-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.67
Rot. Bonds5

About 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone

1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone (PubChem CID 91171818) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone
PubChem CID91171818
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C(C)=O)nc(-c3ccccn3)c2-c2ccccn2)n1
InChIInChI=1S/C24H18N4O2/c1-15(29)18-10-7-11-19(27-18)17-14-22(16(2)30)28-24(21-9-4-6-13-26-21)23(17)20-8-3-5-12-25-20/h3-14H,1-2H3
InChIKeyWYEXKYYGFRDYJK-UHFFFAOYSA-N
XLogP4.67
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,7-Naphthyridin-3-yl)ethanone
CID 155795
2-Pyridyl(2-quinolyl)methanone
CID 2817968
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
5H-Quino[6,8-ij][2,7]naphthridin-5-one
CID 388734
Crl-8294
CID 15480973
1-(4-Benzoylpiperazin-1-yl)-2-(3-isoquinolyl)ethane-1,2-dione
CID 5280260
1-(4-Benzoylpiperazin-1-yl)-2-(1,6-naphthyridin-2-yl)ethane-1,2-dione
CID 5280261
1-(4-{4-[(Pyridin-3-yl)methyl]piperazin-1-yl}phenyl)ethan-1-one
CID 757138
9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridinyl)-
CID 4595742
3-(Dimethylamino)-6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 11832660
7-Phenyl-1-(6-(pyridin-2-yl)-pyridazin-3-yl)-heptan-1-one
CID 24951320
(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 102222772

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone (CID 91171818) is 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2cc(C(C)=O)nc(-c3ccccn3)c2-c2ccccn2)n1.
What is the InChIKey of 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone?
The InChIKey is WYEXKYYGFRDYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15(29)18-10-7-11-19(27-18)17-14-22(16(2)30)28-24(21-9-4-6-13-26-21)23(17)20-8-3-5-12-25-20/h3-14H,1-2H3.
What are the key properties of 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone?
1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone has a molecular weight of 394.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 91171818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).