2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile

C18H21N3O2 — CID 18794786

IUPAC2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile
SMILESCOC(C#N)Cc1ccc(OCCN(C)c2ccccn2)cc1
InChIInChI=1S/C18H21N3O2/c1-21(18-5-3-4-10-20-18)11-12-23-16-8-6-15(7-9-16)13-17(14-19)22-2/h3-10,17H,11-13H2,1-2H3
InChIKeyHSHGWTBQFJUYOD-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.68
Rot. Bonds8

About 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile

2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile (PubChem CID 18794786) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile
PubChem CID18794786
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile
SMILESCOC(C#N)Cc1ccc(OCCN(C)c2ccccn2)cc1
InChIInChI=1S/C18H21N3O2/c1-21(18-5-3-4-10-20-18)11-12-23-16-8-6-15(7-9-16)13-17(14-19)22-2/h3-10,17H,11-13H2,1-2H3
InChIKeyHSHGWTBQFJUYOD-UHFFFAOYSA-N
XLogP2.68
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoate
CID 18794800
3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-sulfanylpropanoic acid
CID 23362224
S-[1-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-3-oxopropan-2-yl] N-methylcarbamothioate
CID 89097684
ethyl 2-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-3-oxohexanoate
CID 11315503
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
3-[5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 88986829
(2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid
CID 70229851
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
CID 115254408
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
N-ethylethanamine;(2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbut-2-en-2-yl)amino]propanoic acid
CID 70229850
(E)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 6537720
N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile?
The IUPAC name of 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile (CID 18794786) is 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile.
What is the SMILES notation for 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile?
The canonical SMILES for 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile is COC(C#N)Cc1ccc(OCCN(C)c2ccccn2)cc1.
What is the InChIKey of 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile?
The InChIKey is HSHGWTBQFJUYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21(18-5-3-4-10-20-18)11-12-23-16-8-6-15(7-9-16)13-17(14-19)22-2/h3-10,17H,11-13H2,1-2H3.
What are the key properties of 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile?
2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile has a molecular weight of 311.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile is sourced from PubChem (CID 18794786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).