2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile

C24H19N3O2 — CID 151633427

IUPAC2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile
SMILESCOC1=CC=CCN1c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C24H19N3O2/c1-29-23-13-7-8-14-26(23)20-15-22(21-12-6-5-9-18(21)16-25)24(28)27(17-20)19-10-3-2-4-11-19/h2-13,15,17H,14H2,1H3
InChIKeyQQZUOALIMCSCBP-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.24
Rot. Bonds4

About 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile

2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile (PubChem CID 151633427) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile
PubChem CID151633427
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile
SMILESCOC1=CC=CCN1c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1
InChIInChI=1S/C24H19N3O2/c1-29-23-13-7-8-14-26(23)20-15-22(21-12-6-5-9-18(21)16-25)24(28)27(17-20)19-10-3-2-4-11-19/h2-13,15,17H,14H2,1H3
InChIKeyQQZUOALIMCSCBP-UHFFFAOYSA-N
XLogP4.24
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile (CID 151633427) is 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile is COC1=CC=CCN1c1cc(-c2ccccc2C#N)c(=O)n(-c2ccccc2)c1.
What is the InChIKey of 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
The InChIKey is QQZUOALIMCSCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-23-13-7-8-14-26(23)20-15-22(21-12-6-5-9-18(21)16-25)24(28)27(17-20)19-10-3-2-4-11-19/h2-13,15,17H,14H2,1H3.
What are the key properties of 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile?
2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile has a molecular weight of 381.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methoxy-2H-pyridin-1-yl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 151633427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).