N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

C22H21BrN4O — CID 53108581

IUPACN-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H21BrN4O/c23-19-8-10-20(11-9-19)26-21(28)17-6-4-16(5-7-17)18-14-24-22(25-15-18)27-12-2-1-3-13-27/h4-11,14-15H,1-3,12-13H2,(H,26,28)
InChIKeyPDJXRVOYXKUSBF-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.15
Rot. Bonds4

About N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108581) has the molecular formula C22H21BrN4O and a molecular weight of 437.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108581
Molecular FormulaC22H21BrN4O
Molecular Weight437.34 g/mol
Exact Mass436.09
IUPAC NameN-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H21BrN4O/c23-19-8-10-20(11-9-19)26-21(28)17-6-4-16(5-7-17)18-14-24-22(25-15-18)27-12-2-1-3-13-27/h4-11,14-15H,1-3,12-13H2,(H,26,28)
InChIKeyPDJXRVOYXKUSBF-UHFFFAOYSA-N
XLogP5.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108518
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 53108581) is N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is PDJXRVOYXKUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O/c23-19-8-10-20(11-9-19)26-21(28)17-6-4-16(5-7-17)18-14-24-22(25-15-18)27-12-2-1-3-13-27/h4-11,14-15H,1-3,12-13H2,(H,26,28).
What are the key properties of N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 437.34 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).