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

C12H14Cl2N2O2 — CID 114629332

IUPAC3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)7(5-8(12)17)15-11(18)10-6(13)3-4-9(14)16-10/h3-4,7-8,17H,5H2,1-2H3,(H,15,18)
InChIKeyVPVYDUKOTVHOSJ-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.28
Rot. Bonds2

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

3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (PubChem CID 114629332) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
PubChem CID114629332
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)7(5-8(12)17)15-11(18)10-6(13)3-4-9(14)16-10/h3-4,7-8,17H,5H2,1-2H3,(H,15,18)
InChIKeyVPVYDUKOTVHOSJ-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
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
3,6-dichloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104956936
3,6-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103767084
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
CID 54898284
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 107519435
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629328
3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 104693580
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
CID 114629350
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide
CID 114631317

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (CID 114629332) is 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is CC1(C)C(O)CC1NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is VPVYDUKOTVHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-12(2)7(5-8(12)17)15-11(18)10-6(13)3-4-9(14)16-10/h3-4,7-8,17H,5H2,1-2H3,(H,15,18).
What are the key properties of 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-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 3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 114629332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).