2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide

C13H18BrN3O — CID 55042048

IUPAC2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cc(Br)cnc2N)CCCCC1
InChIInChI=1S/C13H18BrN3O/c1-13(5-3-2-4-6-13)17-12(18)10-7-9(14)8-16-11(10)15/h7-8H,2-6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyGCDUZJIJDJGOSJ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.88
Rot. Bonds2

About 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 55042048) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID55042048
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cc(Br)cnc2N)CCCCC1
InChIInChI=1S/C13H18BrN3O/c1-13(5-3-2-4-6-13)17-12(18)10-7-9(14)8-16-11(10)15/h7-8H,2-6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyGCDUZJIJDJGOSJ-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 62174416
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62153733
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
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2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891
4-bromo-N-(1-methylcyclopentyl)-2-sulfanylbenzamide
CID 107023881

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide (CID 55042048) is 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide is CC1(NC(=O)c2cc(Br)cnc2N)CCCCC1.
What is the InChIKey of 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is GCDUZJIJDJGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-13(5-3-2-4-6-13)17-12(18)10-7-9(14)8-16-11(10)15/h7-8H,2-6H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.88, 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-(1-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 55042048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).