N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide

C12H16BrN3O — CID 79049026

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CNCC2C)ccc1Br
InChIInChI=1S/C12H16BrN3O/c1-7-5-14-6-9(7)12(17)16-11-4-3-10(13)8(2)15-11/h3-4,7,9,14H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyRZOSZXOUEPIOSQ-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.95
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 79049026) 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)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID79049026
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CNCC2C)ccc1Br
InChIInChI=1S/C12H16BrN3O/c1-7-5-14-6-9(7)12(17)16-11-4-3-10(13)8(2)15-11/h3-4,7,9,14H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyRZOSZXOUEPIOSQ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 79048485
N-(4,6-dimethyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 113357303
N-(4-bromo-2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 107790239
N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 81496464
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79048568
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714914
trans-methyl (1R,3R)-3-[(5-bromo-6-methyl-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 124608797
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245835

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide (CID 79049026) is N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2CNCC2C)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is RZOSZXOUEPIOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-7-5-14-6-9(7)12(17)16-11-4-3-10(13)8(2)15-11/h3-4,7,9,14H,5-6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.95, 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)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79049026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).