1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone

C22H16N4O — CID 68750040

IUPAC1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(-c2ccccn2)n1)c1cccnc1-c1ccccn1
InChIInChI=1S/C22H16N4O/c27-21(17-8-6-14-25-22(17)20-10-2-4-13-24-20)15-16-7-5-11-19(26-16)18-9-1-3-12-23-18/h1-14H,15H2
InChIKeyYCPDLNDCUQSUMJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone

1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone (PubChem CID 68750040) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone
PubChem CID68750040
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(-c2ccccn2)n1)c1cccnc1-c1ccccn1
InChIInChI=1S/C22H16N4O/c27-21(17-8-6-14-25-22(17)20-10-2-4-13-24-20)15-16-7-5-11-19(26-16)18-9-1-3-12-23-18/h1-14H,15H2
InChIKeyYCPDLNDCUQSUMJ-UHFFFAOYSA-N
XLogP4.03
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone?
The IUPAC name of 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone (CID 68750040) is 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone is O=C(Cc1cccc(-c2ccccn2)n1)c1cccnc1-c1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone?
The InChIKey is YCPDLNDCUQSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-21(17-8-6-14-25-22(17)20-10-2-4-13-24-20)15-16-7-5-11-19(26-16)18-9-1-3-12-23-18/h1-14H,15H2.
What are the key properties of 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone?
1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone has a molecular weight of 352.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-yl-3-pyridinyl)-2-(6-pyridin-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 68750040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).