2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide

C13H17ClN2O2 — CID 113379994

IUPAC2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2COC2)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)10-4-8(5-11(14)16-10)12(17)15-9-6-18-7-9/h4-5,9H,6-7H2,1-3H3,(H,15,17)
InChIKeyPFVPCVJICSKUQO-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.16
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide

2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide (PubChem CID 113379994) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide
PubChem CID113379994
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2COC2)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)10-4-8(5-11(14)16-10)12(17)15-9-6-18-7-9/h4-5,9H,6-7H2,1-3H3,(H,15,17)
InChIKeyPFVPCVJICSKUQO-UHFFFAOYSA-N
XLogP2.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide
CID 113379890
2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841535
(2S)-2-[(2-tert-butyl-6-chloropyridine-4-carbonyl)amino]propanoic acid
CID 114036543
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725
2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 106242999
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
CID 116794886
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 114387350
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide (CID 113379994) is 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)NC2COC2)cc(Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide?
The InChIKey is PFVPCVJICSKUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2,3)10-4-8(5-11(14)16-10)12(17)15-9-6-18-7-9/h4-5,9H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide?
2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113379994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).