2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide

C13H17BrN2O2 — CID 113255805

IUPAC2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCOC1CC(NC(=O)c2cccnc2Br)C1(C)C
InChIInChI=1S/C13H17BrN2O2/c1-13(2)9(7-10(13)18-3)16-12(17)8-5-4-6-15-11(8)14/h4-6,9-10H,7H2,1-3H3,(H,16,17)
InChIKeyAGZDKFIABMLSII-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.39
Rot. Bonds3

About 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide

2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (PubChem CID 113255805) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
PubChem CID113255805
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCOC1CC(NC(=O)c2cccnc2Br)C1(C)C
InChIInChI=1S/C13H17BrN2O2/c1-13(2)9(7-10(13)18-3)16-12(17)8-5-4-6-15-11(8)14/h4-6,9-10H,7H2,1-3H3,(H,16,17)
InChIKeyAGZDKFIABMLSII-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide
CID 103742713
2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103990210
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742275
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742295
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629328
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carbothioamide
CID 114119402
N-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 166251070

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (CID 113255805) is 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is COC1CC(NC(=O)c2cccnc2Br)C1(C)C.
What is the InChIKey of 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is AGZDKFIABMLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(2)9(7-10(13)18-3)16-12(17)8-5-4-6-15-11(8)14/h4-6,9-10H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 113255805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).