2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide

C12H14BrN3O — CID 118238040

IUPAC2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Br)cnc1N)C12CC(C1)C2
InChIInChI=1S/C12H14BrN3O/c1-16(12-3-7(4-12)5-12)11(17)9-2-8(13)6-15-10(9)14/h2,6-7H,3-5H2,1H3,(H2,14,15)
InChIKeyVPCCSTKCGRUAQF-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.05
Rot. Bonds2

About 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide

2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide (PubChem CID 118238040) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
PubChem CID118238040
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Br)cnc1N)C12CC(C1)C2
InChIInChI=1S/C12H14BrN3O/c1-16(12-3-7(4-12)5-12)11(17)9-2-8(13)6-15-10(9)14/h2,6-7H,3-5H2,1H3,(H2,14,15)
InChIKeyVPCCSTKCGRUAQF-UHFFFAOYSA-N
XLogP2.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide (CID 118238040) is 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide is CN(C(=O)c1cc(Br)cnc1N)C12CC(C1)C2.
What is the InChIKey of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide?
The InChIKey is VPCCSTKCGRUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16(12-3-7(4-12)5-12)11(17)9-2-8(13)6-15-10(9)14/h2,6-7H,3-5H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide?
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide has a molecular weight of 296.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 118238040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).