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

C12H15ClN2O2 — CID 114629337

IUPAC6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN2O2/c1-12(2)8(5-9(12)16)15-11(17)7-3-4-10(13)14-6-7/h3-4,6,8-9,16H,5H2,1-2H3,(H,15,17)
InChIKeyJSYBBGLCBPLXCK-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.62
Rot. Bonds2

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

6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (PubChem CID 114629337) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
PubChem CID114629337
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN2O2/c1-12(2)8(5-9(12)16)15-11(17)7-3-4-10(13)14-6-7/h3-4,6,8-9,16H,5H2,1-2H3,(H,15,17)
InChIKeyJSYBBGLCBPLXCK-UHFFFAOYSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.62
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

5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 114629332
2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760527
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629328
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
CID 114630906
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104956547

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (CID 114629337) is 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is CC1(C)C(O)CC1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is JSYBBGLCBPLXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(2)8(5-9(12)16)15-11(17)7-3-4-10(13)14-6-7/h3-4,6,8-9,16H,5H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 114629337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).