2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide

C14H22BrN3O — CID 55041629

IUPAC2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H22BrN3O/c1-13(2,3)8-14(4,5)18-12(19)10-6-9(15)7-17-11(10)16/h6-7H,8H2,1-5H3,(H2,16,17)(H,18,19)
InChIKeySQMYICGYKBXZFB-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.37
Rot. Bonds3

About 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide

2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 55041629) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
PubChem CID55041629
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H22BrN3O/c1-13(2,3)8-14(4,5)18-12(19)10-6-9(15)7-17-11(10)16/h6-7H,8H2,1-5H3,(H2,16,17)(H,18,19)
InChIKeySQMYICGYKBXZFB-UHFFFAOYSA-N
XLogP3.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 155213563
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CID 115357192
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide
CID 118110256
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62509238
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
CID 114917844

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide (CID 55041629) is 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is SQMYICGYKBXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-13(2,3)8-14(4,5)18-12(19)10-6-9(15)7-17-11(10)16/h6-7H,8H2,1-5H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 3.37, 3 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-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55041629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).