5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide

C12H14Cl2N2O2 — CID 114629364

IUPAC5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)8(4-9(12)17)16-11(18)6-3-7(13)10(14)15-5-6/h3,5,8-9,17H,4H2,1-2H3,(H,16,18)
InChIKeyYVSGBTKSZGZSLA-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.28
Rot. Bonds2

About 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide

5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (PubChem CID 114629364) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
PubChem CID114629364
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)8(4-9(12)17)16-11(18)6-3-7(13)10(14)15-5-6/h3,5,8-9,17H,4H2,1-2H3,(H,16,18)
InChIKeyYVSGBTKSZGZSLA-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
CID 113345464
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629328
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 114629332
3,5-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-iodobenzamide
CID 114630703
4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209097
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104956547
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
CID 114629350
5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 78926017

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (CID 114629364) is 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is CC1(C)C(O)CC1NC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is YVSGBTKSZGZSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-12(2)8(4-9(12)17)16-11(18)6-3-7(13)10(14)15-5-6/h3,5,8-9,17H,4H2,1-2H3,(H,16,18).
What are the key properties of 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 114629364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).