3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile

C23H17Cl2N3O3 — CID 18957081

IUPAC3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile
SMILESCOC1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(=O)[nH]c2-c2c(Cl)cccc2C#N)C1
InChIInChI=1S/C23H17Cl2N3O3/c1-31-16-11-28(12-16)23(30)18-9-17(13-4-2-6-15(24)8-13)22(29)27-21(18)20-14(10-26)5-3-7-19(20)25/h2-9,16H,11-12H2,1H3,(H,27,29)
InChIKeyCZDDDDVVKVAFSV-UHFFFAOYSA-N
MW454.31 g/mol
LogP4.36
Rot. Bonds4

About 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile

3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile (PubChem CID 18957081) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile
PubChem CID18957081
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC Name3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile
SMILESCOC1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(=O)[nH]c2-c2c(Cl)cccc2C#N)C1
InChIInChI=1S/C23H17Cl2N3O3/c1-31-16-11-28(12-16)23(30)18-9-17(13-4-2-6-15(24)8-13)22(29)27-21(18)20-14(10-26)5-3-7-19(20)25/h2-9,16H,11-12H2,1H3,(H,27,29)
InChIKeyCZDDDDVVKVAFSV-UHFFFAOYSA-N
XLogP4.36
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]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-chloro-2-[5-(3-chlorophenyl)-3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-oxo-1H-pyridin-2-yl]benzonitrile
CID 19785454
10-chloro-1-(3-methoxyazetidine-1-carbonyl)-3-phenylbenzo[a]quinolizin-4-one
CID 14666749
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26898924
1-[5-(3-chlorophenyl)-1H-pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119592
7-chloro-4-hydroxy-3-[3-(2-methoxyphenyl)phenyl]-2-oxo-1H-quinoline-6-carbonitrile
CID 54706679
(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
CID 71979962
6-methyl-5-[3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70782735
2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile
CID 51197764
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 95217243
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
[3-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537001
3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55842753

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile?
The IUPAC name of 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile (CID 18957081) is 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile?
The canonical SMILES for 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile is COC1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(=O)[nH]c2-c2c(Cl)cccc2C#N)C1.
What is the InChIKey of 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile?
The InChIKey is CZDDDDVVKVAFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c1-31-16-11-28(12-16)23(30)18-9-17(13-4-2-6-15(24)8-13)22(29)27-21(18)20-14(10-26)5-3-7-19(20)25/h2-9,16H,11-12H2,1H3,(H,27,29).
What are the key properties of 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile?
3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile has a molecular weight of 454.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[5-(3-chlorophenyl)-3-(3-methoxyazetidine-1-carbonyl)-6-oxo-1H-pyridin-2-yl]benzonitrile is sourced from PubChem (CID 18957081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).