N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide

C19H24N2O — CID 119045205

IUPACN-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
SMILESCC(C)C(CNC(=O)Cc1cccnc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-15(2)18(11-16-7-4-3-5-8-16)14-21-19(22)12-17-9-6-10-20-13-17/h3-10,13,15,18H,11-12,14H2,1-2H3,(H,21,22)
InChIKeyHXACMCBVBWBBME-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.26
Rot. Bonds7

About N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide

N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide (PubChem CID 119045205) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
PubChem CID119045205
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
SMILESCC(C)C(CNC(=O)Cc1cccnc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-15(2)18(11-16-7-4-3-5-8-16)14-21-19(22)12-17-9-6-10-20-13-17/h3-10,13,15,18H,11-12,14H2,1-2H3,(H,21,22)
InChIKeyHXACMCBVBWBBME-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
CID 66868100
CID 66868100
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide (CID 119045205) is N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide is CC(C)C(CNC(=O)Cc1cccnc1)Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide?
The InChIKey is HXACMCBVBWBBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15(2)18(11-16-7-4-3-5-8-16)14-21-19(22)12-17-9-6-10-20-13-17/h3-10,13,15,18H,11-12,14H2,1-2H3,(H,21,22).
What are the key properties of N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide?
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide has a molecular weight of 296.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 119045205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).