2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide

C17H22N4O — CID 70572704

IUPAC2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(N(C)C)nc2)c1)C(=O)CN
InChIInChI=1S/C17H22N4O/c1-20(2)16-8-7-15(11-19-16)14-6-4-5-13(9-14)12-21(3)17(22)10-18/h4-9,11H,10,12,18H2,1-3H3
InChIKeyHWZJUBMGEXGVKB-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.73
Rot. Bonds5

About 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide

2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide (PubChem CID 70572704) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
PubChem CID70572704
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(N(C)C)nc2)c1)C(=O)CN
InChIInChI=1S/C17H22N4O/c1-20(2)16-8-7-15(11-19-16)14-6-4-5-13(9-14)12-21(3)17(22)10-18/h4-9,11H,10,12,18H2,1-3H3
InChIKeyHWZJUBMGEXGVKB-UHFFFAOYSA-N
XLogP1.73
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
CID 70572382
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-methyl-N-[[3-[2-(2-pyridin-2-ylethylamino)pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571878
2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
CID 70572253
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
2-amino-N-methyl-N-[[3-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572228
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
2-amino-N-methyl-N-[[3-[2-[4-(5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571158
2-amino-N-methyl-N-[[3-[2-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572864
2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572030
2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide
CID 70573736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide (CID 70572704) is 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide is CN(Cc1cccc(-c2ccc(N(C)C)nc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide?
The InChIKey is HWZJUBMGEXGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(2)16-8-7-15(11-19-16)14-6-4-5-13(9-14)12-21(3)17(22)10-18/h4-9,11H,10,12,18H2,1-3H3.
What are the key properties of 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide?
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70572704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).