N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide

C13H20N2O — CID 122136270

IUPACN-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
SMILESCC(C)C(C)CNC(=O)Cc1ccncc1
InChIInChI=1S/C13H20N2O/c1-10(2)11(3)9-15-13(16)8-12-4-6-14-7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyOMRAFEJPQCKYND-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.03
Rot. Bonds5

About N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide

N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide (PubChem CID 122136270) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
PubChem CID122136270
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
SMILESCC(C)C(C)CNC(=O)Cc1ccncc1
InChIInChI=1S/C13H20N2O/c1-10(2)11(3)9-15-13(16)8-12-4-6-14-7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyOMRAFEJPQCKYND-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide
CID 67292667
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-2-pyridin-4-ylacetamide
CID 125167640
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
N,2-dipyridin-4-ylacetamide
CID 110468100
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide (CID 122136270) is N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide is CC(C)C(C)CNC(=O)Cc1ccncc1.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide?
The InChIKey is OMRAFEJPQCKYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)11(3)9-15-13(16)8-12-4-6-14-7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide?
N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide has a molecular weight of 220.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 122136270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).