N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

C24H26N4O — CID 53108798

IUPACN-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)c(C)c1
InChIInChI=1S/C24H26N4O/c1-17-9-10-22(18(2)13-17)27-23(29)20-8-6-7-19(14-20)21-15-25-24(26-16-21)28-11-4-3-5-12-28/h6-10,13-16H,3-5,11-12H2,1-2H3,(H,27,29)
InChIKeyXMWTZNHXHKFQGM-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.00
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108798) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108798
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)c(C)c1
InChIInChI=1S/C24H26N4O/c1-17-9-10-22(18(2)13-17)27-23(29)20-8-6-7-19(14-20)21-15-25-24(26-16-21)28-11-4-3-5-12-28/h6-10,13-16H,3-5,11-12H2,1-2H3,(H,27,29)
InChIKeyXMWTZNHXHKFQGM-UHFFFAOYSA-N
XLogP5.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108802
1-(2,4-dimethylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 91968079
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108719
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249495
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 53108798) is N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is Cc1ccc(NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is XMWTZNHXHKFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-9-10-22(18(2)13-17)27-23(29)20-8-6-7-19(14-20)21-15-25-24(26-16-21)28-11-4-3-5-12-28/h6-10,13-16H,3-5,11-12H2,1-2H3,(H,27,29).
What are the key properties of N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).