3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile

C20H16ClN3O3 — CID 91588000

IUPAC3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile
SMILESCc1c(Oc2cc(Cl)cc(C#N)c2)c(CCOc2ccncc2)c[nH]c1=O
InChIInChI=1S/C20H16ClN3O3/c1-13-19(27-18-9-14(11-22)8-16(21)10-18)15(12-24-20(13)25)4-7-26-17-2-5-23-6-3-17/h2-3,5-6,8-10,12H,4,7H2,1H3,(H,24,25)
InChIKeyDJFWISRXQXKHDL-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.02
Rot. Bonds6

About 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile

3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile (PubChem CID 91588000) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile
PubChem CID91588000
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile
SMILESCc1c(Oc2cc(Cl)cc(C#N)c2)c(CCOc2ccncc2)c[nH]c1=O
InChIInChI=1S/C20H16ClN3O3/c1-13-19(27-18-9-14(11-22)8-16(21)10-18)15(12-24-20(13)25)4-7-26-17-2-5-23-6-3-17/h2-3,5-6,8-10,12H,4,7H2,1H3,(H,24,25)
InChIKeyDJFWISRXQXKHDL-UHFFFAOYSA-N
XLogP4.02
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile with MolForge

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Related Compounds

3-chloro-5-[[3-methyl-2-oxo-5-(3-pyridin-4-ylpropyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 70909059
3-[[3-bromo-2-oxo-5-(pyridin-4-ylmethoxymethyl)-1H-pyridin-4-yl]oxy]-5-chlorobenzonitrile
CID 46178700
3-[(4-acetyl-2-oxo-1H-pyridin-3-yl)oxy]-5-chlorobenzonitrile
CID 58460041
3-chloro-5-[4-methyl-6-oxo-1-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]pyrimidin-5-yl]oxybenzonitrile
CID 121355291
3-chloro-5-[[5-hydroxy-2-methyl-6-oxo-3-(3-pyridin-3-ylpropyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 143951140
3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile
CID 59529755
3-chloro-5-[[3-chloro-2-oxo-6-(2-pyridin-2-ylethyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 46178784
3-chloro-5-[1-[(4-methoxyphenyl)methyl]-4-methyl-6-oxopyrimidin-5-yl]oxybenzonitrile
CID 121355292
3-chloro-5-[2,3-dimethyl-4-(2-oxoethyl)phenoxy]benzonitrile
CID 89267976
3-chloro-5-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]oxy]benzonitrile
CID 58460048
3-chloro-5-[[2-oxo-6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethyl]-1H-pyridin-4-yl]oxy]benzonitrile
CID 42644394
3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
CID 59451640

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
The IUPAC name of 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile (CID 91588000) is 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile is Cc1c(Oc2cc(Cl)cc(C#N)c2)c(CCOc2ccncc2)c[nH]c1=O.
What is the InChIKey of 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
The InChIKey is DJFWISRXQXKHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-13-19(27-18-9-14(11-22)8-16(21)10-18)15(12-24-20(13)25)4-7-26-17-2-5-23-6-3-17/h2-3,5-6,8-10,12H,4,7H2,1H3,(H,24,25).
What are the key properties of 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile?
3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile has a molecular weight of 381.82 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile is sourced from PubChem (CID 91588000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).