3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C22H25ClN4O2 — CID 123882526

IUPAC3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ncccc3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C22H25ClN4O2/c1-21(2)11-16(12-22(3,4)27-21)26-19(28)14-7-8-18(17(23)10-14)29-20-15(13-24)6-5-9-25-20/h5-10,16,27H,11-12H2,1-4H3,(H,26,28)
InChIKeyXGIGIPGLFOTBNT-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.44
Rot. Bonds4

About 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 123882526) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID123882526
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ncccc3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C22H25ClN4O2/c1-21(2)11-16(12-22(3,4)27-21)26-19(28)14-7-8-18(17(23)10-14)29-20-15(13-24)6-5-9-25-20/h5-10,16,27H,11-12H2,1-4H3,(H,26,28)
InChIKeyXGIGIPGLFOTBNT-UHFFFAOYSA-N
XLogP4.44
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679152
3-chloro-4-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678992
4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679263
3-chloro-4-[2-(1-hydroxyethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679606
4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678986
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123471044
3-chloro-4-[2-(phenylcarbamoyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679341
3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
CID 90655839
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-2-carboxylate
CID 67679627
3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679333
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
CID 67679483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 123882526) is 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3ncccc3C#N)c(Cl)c2)CC(C)(C)N1.
What is the InChIKey of 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is XGIGIPGLFOTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-21(2)11-16(12-22(3,4)27-21)26-19(28)14-7-8-18(17(23)10-14)29-20-15(13-24)6-5-9-25-20/h5-10,16,27H,11-12H2,1-4H3,(H,26,28).
What are the key properties of 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 412.92 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 123882526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).