N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide

C13H18BrN3O — CID 107068531

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1NCCCC1C
InChIInChI=1S/C13H18BrN3O/c1-8-4-3-5-15-11(8)13(18)17-12-9(2)6-10(14)7-16-12/h6-8,11,15H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyRQLJXHNJAIFZOW-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.48
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107068531) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
PubChem CID107068531
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1NCCCC1C
InChIInChI=1S/C13H18BrN3O/c1-8-4-3-5-15-11(8)13(18)17-12-9(2)6-10(14)7-16-12/h6-8,11,15H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyRQLJXHNJAIFZOW-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 107067167
N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 107068466
N-(3-hydroxy-6-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
CID 107068551
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 107067103
N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
CID 114825721
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 81489355
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
N-(5-bromo-3-methyl-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 75430216
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114098798
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide (CID 107068531) is N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide is Cc1cc(Br)cnc1NC(=O)C1NCCCC1C.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is RQLJXHNJAIFZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-8-4-3-5-15-11(8)13(18)17-12-9(2)6-10(14)7-16-12/h6-8,11,15H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107068531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).