2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile

C17H17N3O2 — CID 11558425

IUPAC2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OC(c1cccnc1)C1CNCCO1
InChIInChI=1S/C17H17N3O2/c18-10-13-4-1-2-6-15(13)22-17(14-5-3-7-19-11-14)16-12-20-8-9-21-16/h1-7,11,16-17,20H,8-9,12H2
InChIKeyPYJSMOVFWZKAMA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.06
Rot. Bonds4

About 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile

2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile (PubChem CID 11558425) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile
PubChem CID11558425
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OC(c1cccnc1)C1CNCCO1
InChIInChI=1S/C17H17N3O2/c18-10-13-4-1-2-6-15(13)22-17(14-5-3-7-19-11-14)16-12-20-8-9-21-16/h1-7,11,16-17,20H,8-9,12H2
InChIKeyPYJSMOVFWZKAMA-UHFFFAOYSA-N
XLogP2.06
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile 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

2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile
CID 68538390
(2R)-2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 59166891
2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 11616643
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668
5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride
CID 68599466
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(2-methoxy-3-pyridinyl)oxy-phenylmethyl]morpholine
CID 68541459
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine
CID 11709415
(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine
CID 68538263
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 68542186
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996

Frequently Asked Questions

What is the IUPAC name of 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile?
The IUPAC name of 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile (CID 11558425) is 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile?
The canonical SMILES for 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile is N#Cc1ccccc1OC(c1cccnc1)C1CNCCO1.
What is the InChIKey of 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile?
The InChIKey is PYJSMOVFWZKAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-10-13-4-1-2-6-15(13)22-17(14-5-3-7-19-11-14)16-12-20-8-9-21-16/h1-7,11,16-17,20H,8-9,12H2.
What are the key properties of 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile?
2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile is sourced from PubChem (CID 11558425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).