2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one

C18H22N2O — CID 63196149

IUPAC2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCN(Cc1cccnc1)CC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,17(21)16-9-5-4-6-10-16)14-20(3)13-15-8-7-11-19-12-15/h4-12H,13-14H2,1-3H3
InChIKeyPGBXFEKGNQWMIZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds6

About 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one

2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one (PubChem CID 63196149) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
PubChem CID63196149
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCN(Cc1cccnc1)CC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,17(21)16-9-5-4-6-10-16)14-20(3)13-15-8-7-11-19-12-15/h4-12H,13-14H2,1-3H3
InChIKeyPGBXFEKGNQWMIZ-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 56702872
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
CID 62276200

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one (CID 63196149) is 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one is CN(Cc1cccnc1)CC(C)(C)C(=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one?
The InChIKey is PGBXFEKGNQWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,17(21)16-9-5-4-6-10-16)14-20(3)13-15-8-7-11-19-12-15/h4-12H,13-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one?
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one has a molecular weight of 282.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 63196149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).