3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H18BrN3O — CID 79048568

IUPAC3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(NC(=O)C2C3CCC(C3)C2N)ccc1Br
InChIInChI=1S/C14H18BrN3O/c1-7-10(15)4-5-11(17-7)18-14(19)12-8-2-3-9(6-8)13(12)16/h4-5,8-9,12-13H,2-3,6,16H2,1H3,(H,17,18,19)
InChIKeyMJRZRRMHVGOLIL-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.46
Rot. Bonds2

About 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 79048568) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID79048568
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(NC(=O)C2C3CCC(C3)C2N)ccc1Br
InChIInChI=1S/C14H18BrN3O/c1-7-10(15)4-5-11(17-7)18-14(19)12-8-2-3-9(6-8)13(12)16/h4-5,8-9,12-13H,2-3,6,16H2,1H3,(H,17,18,19)
InChIKeyMJRZRRMHVGOLIL-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107790133
3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 116786903
3-amino-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119673379
trans-methyl (1R,3R)-3-[(5-bromo-6-methyl-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 124608797
N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 79048485
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79759975
N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 79048580
3-amino-N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119678055
N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 79049026
3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 102853783
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 79048568) is 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1nc(NC(=O)C2C3CCC(C3)C2N)ccc1Br.
What is the InChIKey of 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MJRZRRMHVGOLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-7-10(15)4-5-11(17-7)18-14(19)12-8-2-3-9(6-8)13(12)16/h4-5,8-9,12-13H,2-3,6,16H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 79048568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).