2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide

C17H21N3O2 — CID 77081738

IUPAC2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
SMILESCC(c1cccnc1)N(C)Cc1cccc(OCC(N)=O)c1
InChIInChI=1S/C17H21N3O2/c1-13(15-6-4-8-19-10-15)20(2)11-14-5-3-7-16(9-14)22-12-17(18)21/h3-10,13H,11-12H2,1-2H3,(H2,18,21)
InChIKeyYMHUJEDAIORTPA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.14
Rot. Bonds7

About 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide

2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide (PubChem CID 77081738) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
PubChem CID77081738
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
SMILESCC(c1cccnc1)N(C)Cc1cccc(OCC(N)=O)c1
InChIInChI=1S/C17H21N3O2/c1-13(15-6-4-8-19-10-15)20(2)11-14-5-3-7-16(9-14)22-12-17(18)21/h3-10,13H,11-12H2,1-2H3,(H2,18,21)
InChIKeyYMHUJEDAIORTPA-UHFFFAOYSA-N
XLogP2.14
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86824225
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
CID 95767805
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
CID 173328549
3-methyl-6-[[methyl(1-pyridin-3-ylethyl)amino]methyl]-1,3-benzothiazol-2-one
CID 91653501
methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate
CID 97328786
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide (CID 77081738) is 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide is CC(c1cccnc1)N(C)Cc1cccc(OCC(N)=O)c1.
What is the InChIKey of 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide?
The InChIKey is YMHUJEDAIORTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(15-6-4-8-19-10-15)20(2)11-14-5-3-7-16(9-14)22-12-17(18)21/h3-10,13H,11-12H2,1-2H3,(H2,18,21).
What are the key properties of 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide?
2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 77081738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).