4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C28H34N4O2 — CID 57344445

IUPAC4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(OCc3cccc(-c4ccc(N)nc4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C28H34N4O2/c1-27(2)15-23(16-28(3,4)32-27)31-26(33)20-8-11-24(12-9-20)34-18-19-6-5-7-21(14-19)22-10-13-25(29)30-17-22/h5-14,17,23,32H,15-16,18H2,1-4H3,(H2,29,30)(H,31,33)
InChIKeyPCHRMDRRTLXLDQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.95
Rot. Bonds6

About 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 57344445) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID57344445
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(OCc3cccc(-c4ccc(N)nc4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C28H34N4O2/c1-27(2)15-23(16-28(3,4)32-27)31-26(33)20-8-11-24(12-9-20)34-18-19-6-5-7-21(14-19)22-10-13-25(29)30-17-22/h5-14,17,23,32H,15-16,18H2,1-4H3,(H2,29,30)(H,31,33)
InChIKeyPCHRMDRRTLXLDQ-UHFFFAOYSA-N
XLogP4.95
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344870
4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344867
4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679298
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
4-pyridin-4-yloxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679480
4-(4-methylhexa-2,4-dienoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123892076
4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679197
1-[4-[(3-pyridin-3-ylphenoxy)methyl]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 159234890
2-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 35945918
N-[[3-(6-amino-3-pyridinyl)phenyl]methyl]acetamide
CID 90125227
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 57344445) is 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(OCc3cccc(-c4ccc(N)nc4)c3)cc2)CC(C)(C)N1.
What is the InChIKey of 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is PCHRMDRRTLXLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-27(2)15-23(16-28(3,4)32-27)31-26(33)20-8-11-24(12-9-20)34-18-19-6-5-7-21(14-19)22-10-13-25(29)30-17-22/h5-14,17,23,32H,15-16,18H2,1-4H3,(H2,29,30)(H,31,33).
What are the key properties of 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 458.61 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 57344445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).