N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide

C12H18N2O2 — CID 79246224

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(8-15)14-12(16)7-10-5-3-4-6-13-10/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyCDGJOOQXGLNKSL-LLVKDONJSA-N
MW222.29 g/mol
LogP0.76
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 79246224) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide
PubChem CID79246224
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-9(2)11(8-15)14-12(16)7-10-5-3-4-6-13-10/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyCDGJOOQXGLNKSL-LLVKDONJSA-N
XLogP0.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
methyl 3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoate
CID 43623163
N-(3-hydroxy-2-methylpropyl)-2-pyridin-2-ylacetamide
CID 65037494
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207
methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide
CID 62658246
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-2-ylacetamide
CID 107845294
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide (CID 79246224) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide is CC(C)[C@@H](CO)NC(=O)Cc1ccccn1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is CDGJOOQXGLNKSL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)11(8-15)14-12(16)7-10-5-3-4-6-13-10/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 79246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).