5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide

C11H15BrN2O — CID 61381313

IUPAC5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)7-14-10(15)8-4-9(12)6-13-5-8/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyKAACSNZDFNFSGA-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.62
Rot. Bonds2

About 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide

5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide (PubChem CID 61381313) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
PubChem CID61381313
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)7-14-10(15)8-4-9(12)6-13-5-8/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyKAACSNZDFNFSGA-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide (CID 61381313) is 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide is CC(C)(C)CNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide?
The InChIKey is KAACSNZDFNFSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2,3)7-14-10(15)8-4-9(12)6-13-5-8/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide?
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 61381313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).