N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide

C19H23BrN4O2 — CID 53129457

IUPACN-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H23BrN4O2/c1-13-4-3-9-24(11-13)19-21-14(2)10-18(23-19)26-12-17(25)22-16-7-5-15(20)6-8-16/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H,22,25)
InChIKeyIIRZXHFMHUGUKC-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.80
Rot. Bonds5

About N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide

N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide (PubChem CID 53129457) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide
PubChem CID53129457
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC NameN-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H23BrN4O2/c1-13-4-3-9-24(11-13)19-21-14(2)10-18(23-19)26-12-17(25)22-16-7-5-15(20)6-8-16/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H,22,25)
InChIKeyIIRZXHFMHUGUKC-UHFFFAOYSA-N
XLogP3.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 51611391
N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 95092261
N-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834905
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834863
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355075
N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334018
N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
CID 27476098
N-(4-bromophenyl)-2-[[2-(3-methylpiperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 52999721
(3R)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443903
(3S)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443906

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide (CID 53129457) is N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide is Cc1cc(OCC(=O)Nc2ccc(Br)cc2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide?
The InChIKey is IIRZXHFMHUGUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-13-4-3-9-24(11-13)19-21-14(2)10-18(23-19)26-12-17(25)22-16-7-5-15(20)6-8-16/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide?
N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide has a molecular weight of 419.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53129457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).