4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C28H30ClN5O2 — CID 67678986

IUPAC4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cncc(N)c4)c3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C28H30ClN5O2/c1-27(2)12-20(13-28(3,4)34-27)33-26(35)17-8-9-25(23(29)11-17)36-24-7-5-6-21(22(24)14-30)18-10-19(31)16-32-15-18/h5-11,15-16,20,34H,12-13,31H2,1-4H3,(H,33,35)
InChIKeyKHDBOGFJMFIXLF-UHFFFAOYSA-N
MW504.03 g/mol
LogP5.69
Rot. Bonds5

About 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67678986) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67678986
Molecular FormulaC28H30ClN5O2
Molecular Weight504.03 g/mol
Exact Mass503.21
IUPAC Name4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cncc(N)c4)c3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C28H30ClN5O2/c1-27(2)12-20(13-28(3,4)34-27)33-26(35)17-8-9-25(23(29)11-17)36-24-7-5-6-21(22(24)14-30)18-10-19(31)16-32-15-18/h5-11,15-16,20,34H,12-13,31H2,1-4H3,(H,33,35)
InChIKeyKHDBOGFJMFIXLF-UHFFFAOYSA-N
XLogP5.69
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.03
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679152
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
CID 67679483
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-cyano-3-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123404581
3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679605
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
4-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-3-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679530
5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
CID 123958726
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
2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]-6-pyridin-4-ylbenzonitrile
CID 159528984
3-chloro-4-[2-cyano-3-(2-piperazin-1-ylpyrimidin-5-yl)phenoxy]-N-(2,2,6,6-tetramethyloxan-4-yl)benzamide
CID 67679497

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67678986) is 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3cccc(-c4cncc(N)c4)c3C#N)c(Cl)c2)CC(C)(C)N1.
What is the InChIKey of 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is KHDBOGFJMFIXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c1-27(2)12-20(13-28(3,4)34-27)33-26(35)17-8-9-25(23(29)11-17)36-24-7-5-6-21(22(24)14-30)18-10-19(31)16-32-15-18/h5-11,15-16,20,34H,12-13,31H2,1-4H3,(H,33,35).
What are the key properties of 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 504.03 g/mol, XLogP of 5.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67678986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).