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

C12H15ClN2O2 — CID 114629328

IUPAC2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-12(2)8(6-9(12)16)15-11(17)7-4-3-5-14-10(7)13/h3-5,8-9,16H,6H2,1-2H3,(H,15,17)
InChIKeyJZXJJNFDQYHPJJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.62
Rot. Bonds2

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

2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (PubChem CID 114629328) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
PubChem CID114629328
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-12(2)8(6-9(12)16)15-11(17)7-4-3-5-14-10(7)13/h3-5,8-9,16H,6H2,1-2H3,(H,15,17)
InChIKeyJZXJJNFDQYHPJJ-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

2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
CID 114628887
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 107519435
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxybenzamide
CID 114630957
3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 114629332
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
3,5-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-iodobenzamide
CID 114630703
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide
CID 114630425
2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 103869650

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide (CID 114629328) is 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is CC1(C)C(O)CC1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is JZXJJNFDQYHPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(2)8(6-9(12)16)15-11(17)7-4-3-5-14-10(7)13/h3-5,8-9,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide?
2-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 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 114629328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).