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

C12H15BrN2O2 — CID 107519435

IUPAC3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ncccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-12(2)8(6-9(12)16)15-11(17)10-7(13)4-3-5-14-10/h3-5,8-9,16H,6H2,1-2H3,(H,15,17)
InChIKeyNDEYKGDVWLEKKN-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.73
Rot. Bonds2

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

3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (PubChem CID 107519435) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
PubChem CID107519435
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ncccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-12(2)8(6-9(12)16)15-11(17)10-7(13)4-3-5-14-10/h3-5,8-9,16H,6H2,1-2H3,(H,15,17)
InChIKeyNDEYKGDVWLEKKN-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (CID 107519435) is 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is CC1(C)C(O)CC1NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is NDEYKGDVWLEKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-12(2)8(6-9(12)16)15-11(17)10-7(13)4-3-5-14-10/h3-5,8-9,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).