3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C28H29BrN4O2 — CID 67679605

IUPAC3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cccnc4)c3C#N)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C28H29BrN4O2/c1-27(2)14-20(15-28(3,4)33-27)32-26(34)18-10-11-25(23(29)13-18)35-24-9-5-8-21(22(24)16-30)19-7-6-12-31-17-19/h5-13,17,20,33H,14-15H2,1-4H3,(H,32,34)
InChIKeyDPNRJNIUYWMGKS-UHFFFAOYSA-N
MW533.47 g/mol
LogP6.21
Rot. Bonds5

About 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679605) has the molecular formula C28H29BrN4O2 and a molecular weight of 533.47 g/mol. Its IUPAC name is 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67679605
Molecular FormulaC28H29BrN4O2
Molecular Weight533.47 g/mol
Exact Mass532.15
IUPAC Name3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cccnc4)c3C#N)c(Br)c2)CC(C)(C)N1
InChIInChI=1S/C28H29BrN4O2/c1-27(2)14-20(15-28(3,4)33-27)32-26(34)18-10-11-25(23(29)13-18)35-24-9-5-8-21(22(24)16-30)19-7-6-12-31-17-19/h5-13,17,20,33H,14-15H2,1-4H3,(H,32,34)
InChIKeyDPNRJNIUYWMGKS-UHFFFAOYSA-N
XLogP6.21
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.47
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide 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

4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678986
4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679530
3-bromo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-[2-(2H-tetrazol-5-yl)phenoxy]benzamide
CID 67679317
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123471044
5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
CID 123958726
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-cyano-3-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123404581
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-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
CID 67679483
2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyrimidin-5-ylbenzonitrile
CID 159133883
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-2-carboxylate
CID 67679627

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679605) is 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cccnc4)c3C#N)c(Br)c2)CC(C)(C)N1.
What is the InChIKey of 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is DPNRJNIUYWMGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN4O2/c1-27(2)14-20(15-28(3,4)33-27)32-26(34)18-10-11-25(23(29)13-18)35-24-9-5-8-21(22(24)16-30)19-7-6-12-31-17-19/h5-13,17,20,33H,14-15H2,1-4H3,(H,32,34).
What are the key properties of 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 533.47 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).