2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C17H20N2O3 — CID 78806852

IUPAC2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C17H20N2O3/c1-19(12-13-5-4-8-18-11-13)17(20)10-14-9-15(21-2)6-7-16(14)22-3/h4-9,11H,10,12H2,1-3H3
InChIKeyBBBKMQXPGALKOX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.30
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 78806852) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID78806852
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C17H20N2O3/c1-19(12-13-5-4-8-18-11-13)17(20)10-14-9-15(21-2)6-7-16(14)22-3/h4-9,11H,10,12H2,1-3H3
InChIKeyBBBKMQXPGALKOX-UHFFFAOYSA-N
XLogP2.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 70758920
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78852195
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 94661738
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 78806852) is 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(OC)c(CC(=O)N(C)Cc2cccnc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BBBKMQXPGALKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19(12-13-5-4-8-18-11-13)17(20)10-14-9-15(21-2)6-7-16(14)22-3/h4-9,11H,10,12H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 78806852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).