N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide

C17H21N3O — CID 110753905

IUPACN-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(c1cccnc1)N(C)C
InChIInChI=1S/C17H21N3O/c1-19(2)16(15-10-7-11-18-12-15)17(21)20(3)13-14-8-5-4-6-9-14/h4-12,16H,13H2,1-3H3
InChIKeyWDJVGLDQHQRASX-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.34
Rot. Bonds5

About N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide

N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide (PubChem CID 110753905) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
PubChem CID110753905
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(c1cccnc1)N(C)C
InChIInChI=1S/C17H21N3O/c1-19(2)16(15-10-7-11-18-12-15)17(21)20(3)13-14-8-5-4-6-9-14/h4-12,16H,13H2,1-3H3
InChIKeyWDJVGLDQHQRASX-UHFFFAOYSA-N
XLogP2.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
1-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-2-pyridin-3-ylethanone
CID 110753929
2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 110753926
3-(dimethylamino)-2-methyl-3-pyridin-3-ylprop-1-en-1-one
CID 87271853
2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid
CID 167954016
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
CID 78770706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide?
The IUPAC name of N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide (CID 110753905) is N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide is CN(Cc1ccccc1)C(=O)C(c1cccnc1)N(C)C.
What is the InChIKey of N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide?
The InChIKey is WDJVGLDQHQRASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19(2)16(15-10-7-11-18-12-15)17(21)20(3)13-14-8-5-4-6-9-14/h4-12,16H,13H2,1-3H3.
What are the key properties of N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide?
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide has a molecular weight of 283.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 110753905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).