N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide

C14H22N2O2 — CID 66178919

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cc1cccnc1
InChIInChI=1S/C14H22N2O2/c1-11(2)8-14(3,18)10-16-13(17)7-12-5-4-6-15-9-12/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyDFGVJYUAZPESEL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds6

About N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide

N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide (PubChem CID 66178919) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
PubChem CID66178919
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cc1cccnc1
InChIInChI=1S/C14H22N2O2/c1-11(2)8-14(3,18)10-16-13(17)7-12-5-4-6-15-9-12/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyDFGVJYUAZPESEL-UHFFFAOYSA-N
XLogP1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide
CID 105063908
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide (CID 66178919) is N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide is CC(C)CC(C)(O)CNC(=O)Cc1cccnc1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide?
The InChIKey is DFGVJYUAZPESEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)8-14(3,18)10-16-13(17)7-12-5-4-6-15-9-12/h4-6,9,11,18H,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 66178919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).