4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile

C23H19Cl2N3O — CID 67422275

IUPAC4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(C(O)c2cccnc2-c2cc(Cl)cc(Cl)c2)N2CCC2)cc1
InChIInChI=1S/C23H19Cl2N3O/c24-18-11-17(12-19(25)13-18)21-20(3-1-8-27-21)23(29)22(28-9-2-10-28)16-6-4-15(14-26)5-7-16/h1,3-8,11-13,22-23,29H,2,9-10H2
InChIKeyMHXVPZQZCZWTQQ-UHFFFAOYSA-N
MW424.33 g/mol
LogP5.41
Rot. Bonds5

About 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile

4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile (PubChem CID 67422275) has the molecular formula C23H19Cl2N3O and a molecular weight of 424.33 g/mol. Its IUPAC name is 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile
PubChem CID67422275
Molecular FormulaC23H19Cl2N3O
Molecular Weight424.33 g/mol
Exact Mass423.09
IUPAC Name4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(C(O)c2cccnc2-c2cc(Cl)cc(Cl)c2)N2CCC2)cc1
InChIInChI=1S/C23H19Cl2N3O/c24-18-11-17(12-19(25)13-18)21-20(3-1-8-27-21)23(29)22(28-9-2-10-28)16-6-4-15(14-26)5-7-16/h1,3-8,11-13,22-23,29H,2,9-10H2
InChIKeyMHXVPZQZCZWTQQ-UHFFFAOYSA-N
XLogP5.41
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]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

3-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile
CID 67420811
3-[(1S,2R)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxy-1-morpholin-4-ylethyl]benzonitrile
CID 23585410
4-[(1S,2R)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxy-1-(2,2,2-trifluoroethylamino)ethyl]benzonitrile
CID 23585627
4-[1-[2-(3,5-dichlorophenyl)-3-pyridinyl]propan-2-yl]benzonitrile
CID 143520419
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
4-[2-(4-cyanophenyl)-2-hydroxy-1-pyrrol-1-ylethyl]benzonitrile
CID 122368589
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]benzonitrile
CID 133274035
4-[[4-fluoro-1-[hydroxy-(2-pyrimidin-4-yl-3-pyridinyl)methyl]piperidin-4-yl]methyl]benzonitrile
CID 166170880
4-[3-[2-(3-chlorophenyl)-4H-imidazol-5-yl]-2-pyridinyl]benzonitrile
CID 71022063
4-[3-[3-(3-chlorophenyl)-6H-1,2,4-oxadiazin-5-yl]-2-pyridinyl]benzonitrile
CID 143794044
3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707

Frequently Asked Questions

What is the IUPAC name of 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile (CID 67422275) is 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile is N#Cc1ccc(C(C(O)c2cccnc2-c2cc(Cl)cc(Cl)c2)N2CCC2)cc1.
What is the InChIKey of 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile?
The InChIKey is MHXVPZQZCZWTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O/c24-18-11-17(12-19(25)13-18)21-20(3-1-8-27-21)23(29)22(28-9-2-10-28)16-6-4-15(14-26)5-7-16/h1,3-8,11-13,22-23,29H,2,9-10H2.
What are the key properties of 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile?
4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile has a molecular weight of 424.33 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azetidin-1-yl)-2-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-hydroxyethyl]benzonitrile is sourced from PubChem (CID 67422275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).