N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C19H23BrN4O — CID 108805686

IUPACN-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c(Br)c1
InChIInChI=1S/C19H23BrN4O/c1-12-4-5-17(16(20)10-12)23-18(25)15-6-8-24(9-7-15)19-21-13(2)11-14(3)22-19/h4-5,10-11,15H,6-9H2,1-3H3,(H,23,25)
InChIKeyIKVRGUPKMWHSJW-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.02
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 108805686) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID108805686
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC NameN-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c(Br)c1
InChIInChI=1S/C19H23BrN4O/c1-12-4-5-17(16(20)10-12)23-18(25)15-6-8-24(9-7-15)19-21-13(2)11-14(3)22-19/h4-5,10-11,15H,6-9H2,1-3H3,(H,23,25)
InChIKeyIKVRGUPKMWHSJW-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
CID 108805793
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008292
N-(2-bromo-4-methylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810857
N-(2-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911012
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108793991
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 108805686) is N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is IKVRGUPKMWHSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c1-12-4-5-17(16(20)10-12)23-18(25)15-6-8-24(9-7-15)19-21-13(2)11-14(3)22-19/h4-5,10-11,15H,6-9H2,1-3H3,(H,23,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 108805686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).