3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile

C23H22N4O — CID 57425770

IUPAC3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
SMILESN#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C23H22N4O/c24-15-18-4-1-5-19(14-18)23(27-10-12-28-13-11-27)22(20-6-2-8-25-16-20)21-7-3-9-26-17-21/h1-9,14,16-17,22-23H,10-13H2
InChIKeyJUVPEGCPICRZHE-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.55
Rot. Bonds5

About 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile

3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile (PubChem CID 57425770) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile.

Molecular Properties

Compound Name3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
PubChem CID57425770
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile
SMILESN#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C23H22N4O/c24-15-18-4-1-5-19(14-18)23(27-10-12-28-13-11-27)22(20-6-2-8-25-16-20)21-7-3-9-26-17-21/h1-9,14,16-17,22-23H,10-13H2
InChIKeyJUVPEGCPICRZHE-UHFFFAOYSA-N
XLogP3.55
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 66962797
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
4-[1-(2,3-dichlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 69009942
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
3-[(1S,2R)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxy-1-morpholin-4-ylethyl]benzonitrile
CID 23585410
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
3-[1-(cyanomethylamino)-2,2-dipyridin-3-ylethyl]benzonitrile
CID 59706219
3-[(1R)-1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)ethyl]benzonitrile
CID 99829701
methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 91421264
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 90939785
(2R)-N-[1-(3-chlorophenyl)cyclopropyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97282888

Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile?
The IUPAC name of 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile (CID 57425770) is 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile.
What is the SMILES notation for 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile?
The canonical SMILES for 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile is N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile?
The InChIKey is JUVPEGCPICRZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-15-18-4-1-5-19(14-18)23(27-10-12-28-13-11-27)22(20-6-2-8-25-16-20)21-7-3-9-26-17-21/h1-9,14,16-17,22-23H,10-13H2.
What are the key properties of 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile?
3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile has a molecular weight of 370.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)benzonitrile is sourced from PubChem (CID 57425770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).