2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

C24H17N3O2 — CID 22318988

IUPAC2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESCOc1ccc(-n2cc(-c3ccccn3)cc(-c3ccccc3C#N)c2=O)cc1
InChIInChI=1S/C24H17N3O2/c1-29-20-11-9-19(10-12-20)27-16-18(23-8-4-5-13-26-23)14-22(24(27)28)21-7-3-2-6-17(21)15-25/h2-14,16H,1H3
InChIKeyKZYPCFXPJZHGFD-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.45
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (PubChem CID 22318988) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
PubChem CID22318988
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESCOc1ccc(-n2cc(-c3ccccn3)cc(-c3ccccc3C#N)c2=O)cc1
InChIInChI=1S/C24H17N3O2/c1-29-20-11-9-19(10-12-20)27-16-18(23-8-4-5-13-26-23)14-22(24(27)28)21-7-3-2-6-17(21)15-25/h2-14,16H,1H3
InChIKeyKZYPCFXPJZHGFD-UHFFFAOYSA-N
XLogP4.45
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (CID 22318988) is 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is COc1ccc(-n2cc(-c3ccccn3)cc(-c3ccccc3C#N)c2=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The InChIKey is KZYPCFXPJZHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-29-20-11-9-19(10-12-20)27-16-18(23-8-4-5-13-26-23)14-22(24(27)28)21-7-3-2-6-17(21)15-25/h2-14,16H,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile has a molecular weight of 379.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 22318988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).