4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C22H20N6O — CID 122299333

IUPAC4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C22H20N6O/c23-14-17-6-8-18(9-7-17)21(29)26-19-15-24-22(25-16-19)28-12-10-27(11-13-28)20-4-2-1-3-5-20/h1-9,15-16H,10-13H2,(H,26,29)
InChIKeyOOALOZSEGWGPAN-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.93
Rot. Bonds4

About 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide

4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122299333) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122299333
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1
InChIInChI=1S/C22H20N6O/c23-14-17-6-8-18(9-7-17)21(29)26-19-15-24-22(25-16-19)28-12-10-27(11-13-28)20-4-2-1-3-5-20/h1-9,15-16H,10-13H2,(H,26,29)
InChIKeyOOALOZSEGWGPAN-UHFFFAOYSA-N
XLogP2.93
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 122299333) is 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide is N#Cc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1.
What is the InChIKey of 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is OOALOZSEGWGPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-14-17-6-8-18(9-7-17)21(29)26-19-15-24-22(25-16-19)28-12-10-27(11-13-28)20-4-2-1-3-5-20/h1-9,15-16H,10-13H2,(H,26,29).
What are the key properties of 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122299333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).