2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide

C11H14Cl2N2O2 — CID 79390037

IUPAC2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2,17)6-15(3)10(16)7-4-8(12)14-9(13)5-7/h4-5,17H,6H2,1-3H3
InChIKeyMGEUPJZSBKAEBH-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.23
Rot. Bonds3

About 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide

2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide (PubChem CID 79390037) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
PubChem CID79390037
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-11(2,17)6-15(3)10(16)7-4-8(12)14-9(13)5-7/h4-5,17H,6H2,1-3H3
InChIKeyMGEUPJZSBKAEBH-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.23
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

3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide
CID 111663099
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 111663052
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79389561
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide (CID 79390037) is 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide is CN(CC(C)(C)O)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide?
The InChIKey is MGEUPJZSBKAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-11(2,17)6-15(3)10(16)7-4-8(12)14-9(13)5-7/h4-5,17H,6H2,1-3H3.
What are the key properties of 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 79390037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).