2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide

C14H22BrN3O — CID 55041522

IUPAC2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H22BrN3O/c1-4-10(5-2)9-18(6-3)14(19)12-7-11(15)8-17-13(12)16/h7-8,10H,4-6,9H2,1-3H3,(H2,16,17)
InChIKeyWHTBYKALRUZVIO-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.32
Rot. Bonds6

About 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide

2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide (PubChem CID 55041522) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
PubChem CID55041522
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H22BrN3O/c1-4-10(5-2)9-18(6-3)14(19)12-7-11(15)8-17-13(12)16/h7-8,10H,4-6,9H2,1-3H3,(H2,16,17)
InChIKeyWHTBYKALRUZVIO-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 62153959
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 103752405
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411
CID 89088027
CID 89088027
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62168618
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide (CID 55041522) is 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide is CCC(CC)CN(CC)C(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
The InChIKey is WHTBYKALRUZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-4-10(5-2)9-18(6-3)14(19)12-7-11(15)8-17-13(12)16/h7-8,10H,4-6,9H2,1-3H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 55041522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).