N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide

C15H22BrN3O — CID 79733802

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2cc(C)c(Br)cn2)CCCCC1
InChIInChI=1S/C15H22BrN3O/c1-11-8-13(18-10-12(11)16)19-14(20)9-15(17-2)6-4-3-5-7-15/h8,10,17H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyOMYAAUFUPIBNBJ-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.40
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 79733802) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID79733802
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2cc(C)c(Br)cn2)CCCCC1
InChIInChI=1S/C15H22BrN3O/c1-11-8-13(18-10-12(11)16)19-14(20)9-15(17-2)6-4-3-5-7-15/h8,10,17H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyOMYAAUFUPIBNBJ-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 79733802) is N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)Nc2cc(C)c(Br)cn2)CCCCC1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is OMYAAUFUPIBNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11-8-13(18-10-12(11)16)19-14(20)9-15(17-2)6-4-3-5-7-15/h8,10,17H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 340.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 79733802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).