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

C13H20BrN3O — CID 63837381

IUPAC2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H20BrN3O/c1-4-9(5-2)8(3)17-13(18)11-6-10(14)7-16-12(11)15/h6-9H,4-5H2,1-3H3,(H2,15,16)(H,17,18)
InChIKeyHJHODSUMJOZOAI-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.98
Rot. Bonds5

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

2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 63837381) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
PubChem CID63837381
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H20BrN3O/c1-4-9(5-2)8(3)17-13(18)11-6-10(14)7-16-12(11)15/h6-9H,4-5H2,1-3H3,(H2,15,16)(H,17,18)
InChIKeyHJHODSUMJOZOAI-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63838972
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 62160777
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide (CID 63837381) is 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide is CCC(CC)C(C)NC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is HJHODSUMJOZOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-4-9(5-2)8(3)17-13(18)11-6-10(14)7-16-12(11)15/h6-9H,4-5H2,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 314.23 g/mol, XLogP of 2.98, 5 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-ethylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63837381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).