4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile

C23H16N4O — CID 155932690

IUPAC4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ncc(-c3ccccc3)c(=O)n2Cc2ccccn2)cc1
InChIInChI=1S/C23H16N4O/c24-14-17-9-11-19(12-10-17)22-26-15-21(18-6-2-1-3-7-18)23(28)27(22)16-20-8-4-5-13-25-20/h1-13,15H,16H2
InChIKeyYXDKDHLHWYJDPN-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.89
Rot. Bonds4

About 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile

4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile (PubChem CID 155932690) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile
PubChem CID155932690
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ncc(-c3ccccc3)c(=O)n2Cc2ccccn2)cc1
InChIInChI=1S/C23H16N4O/c24-14-17-9-11-19(12-10-17)22-26-15-21(18-6-2-1-3-7-18)23(28)27(22)16-20-8-4-5-13-25-20/h1-13,15H,16H2
InChIKeyYXDKDHLHWYJDPN-UHFFFAOYSA-N
XLogP3.89
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile?
The IUPAC name of 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile (CID 155932690) is 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile is N#Cc1ccc(-c2ncc(-c3ccccc3)c(=O)n2Cc2ccccn2)cc1.
What is the InChIKey of 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile?
The InChIKey is YXDKDHLHWYJDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-14-17-9-11-19(12-10-17)22-26-15-21(18-6-2-1-3-7-18)23(28)27(22)16-20-8-4-5-13-25-20/h1-13,15H,16H2.
What are the key properties of 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile?
4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile has a molecular weight of 364.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-oxo-5-phenyl-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 155932690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).