2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide

C12H18BrN3O — CID 113458035

IUPAC2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1N)C(C)(C)C
InChIInChI=1S/C12H18BrN3O/c1-7(12(2,3)4)16-11(17)9-5-8(13)6-15-10(9)14/h5-7H,1-4H3,(H2,14,15)(H,16,17)
InChIKeyPRYMJOADAGBMPA-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.59
Rot. Bonds2

About 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide

2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 113458035) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
PubChem CID113458035
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1N)C(C)(C)C
InChIInChI=1S/C12H18BrN3O/c1-7(12(2,3)4)16-11(17)9-5-8(13)6-15-10(9)14/h5-7H,1-4H3,(H2,14,15)(H,16,17)
InChIKeyPRYMJOADAGBMPA-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
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CID 118110256
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide (CID 113458035) is 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide is CC(NC(=O)c1cc(Br)cnc1N)C(C)(C)C.
What is the InChIKey of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is PRYMJOADAGBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-7(12(2,3)4)16-11(17)9-5-8(13)6-15-10(9)14/h5-7H,1-4H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 113458035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).