N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide

C13H20N2O2 — CID 79602844

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-13(2,17)10-15(3)12(16)8-7-11-6-4-5-9-14-11/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyHOQNOFPEWVWKBJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.24
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide (PubChem CID 79602844) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
PubChem CID79602844
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-13(2,17)10-15(3)12(16)8-7-11-6-4-5-9-14-11/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyHOQNOFPEWVWKBJ-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
N-(3,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 122159923
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide (CID 79602844) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide is CN(CC(C)(C)O)C(=O)CCc1ccccn1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide?
The InChIKey is HOQNOFPEWVWKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,17)10-15(3)12(16)8-7-11-6-4-5-9-14-11/h4-6,9,17H,7-8,10H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 79602844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).