2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide

C11H15ClN2O2 — CID 79389751

IUPAC2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-11(2,16)7-14(3)10(15)8-5-4-6-13-9(8)12/h4-6,16H,7H2,1-3H3
InChIKeyHOTUSJIGWJURGT-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide

2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide (PubChem CID 79389751) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
PubChem CID79389751
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-11(2,16)7-14(3)10(15)8-5-4-6-13-9(8)12/h4-6,16H,7H2,1-3H3
InChIKeyHOTUSJIGWJURGT-UHFFFAOYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.58
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

2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389658
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide (CID 79389751) is 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide is CN(CC(C)(C)O)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The InChIKey is HOTUSJIGWJURGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2,16)7-14(3)10(15)8-5-4-6-13-9(8)12/h4-6,16H,7H2,1-3H3.
What are the key properties of 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 79389751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).