N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide

C12H16BrN3O — CID 79048485

IUPACN-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCNC2)ccc1Br
InChIInChI=1S/C12H16BrN3O/c1-8-10(13)4-5-11(15-8)16-12(17)9-3-2-6-14-7-9/h4-5,9,14H,2-3,6-7H2,1H3,(H,15,16,17)
InChIKeyFMPFKIHEZSGOIE-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.09
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 79048485) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID79048485
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCNC2)ccc1Br
InChIInChI=1S/C12H16BrN3O/c1-8-10(13)4-5-11(15-8)16-12(17)9-3-2-6-14-7-9/h4-5,9,14H,2-3,6-7H2,1H3,(H,15,16,17)
InChIKeyFMPFKIHEZSGOIE-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
trans-methyl (1R,3R)-3-[(5-bromo-6-methyl-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 124608797
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 79049026
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
(3R)-N-(5-bromopyrazin-2-yl)piperidine-3-carboxamide
CID 81134417
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
(3S)-N-(1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 81139342
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide
CID 119042245
3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79048568
(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 81123334

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 79048485) is N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCNC2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is FMPFKIHEZSGOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-10(13)4-5-11(15-8)16-12(17)9-3-2-6-14-7-9/h4-5,9,14H,2-3,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 79048485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).