N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide

C34H33N3O2 — CID 44515158

IUPACN-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NCc3ccccc3)c2C#N)cc1
InChIInChI=1S/C34H33N3O2/c1-23(2)25-12-15-27(16-13-25)30-19-32(29-17-14-26-10-6-7-11-28(26)18-29)37-34(31(30)20-35)39-22-33(38)36-21-24-8-4-3-5-9-24/h3-5,8-9,12-19,23H,6-7,10-11,21-22H2,1-2H3,(H,36,38)
InChIKeyLQGVKRYZIKJQBI-UHFFFAOYSA-N
MW515.66 g/mol
LogP6.98
Rot. Bonds8

About N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide

N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide (PubChem CID 44515158) has the molecular formula C34H33N3O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide
PubChem CID44515158
Molecular FormulaC34H33N3O2
Molecular Weight515.66 g/mol
Exact Mass515.26
IUPAC NameN-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NCc3ccccc3)c2C#N)cc1
InChIInChI=1S/C34H33N3O2/c1-23(2)25-12-15-27(16-13-25)30-19-32(29-17-14-26-10-6-7-11-28(26)18-29)37-34(31(30)20-35)39-22-33(38)36-21-24-8-4-3-5-9-24/h3-5,8-9,12-19,23H,6-7,10-11,21-22H2,1-2H3,(H,36,38)
InChIKeyLQGVKRYZIKJQBI-UHFFFAOYSA-N
XLogP6.98
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide?
The IUPAC name of N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide (CID 44515158) is N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide?
The canonical SMILES for N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide is CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NCc3ccccc3)c2C#N)cc1.
What is the InChIKey of N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide?
The InChIKey is LQGVKRYZIKJQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O2/c1-23(2)25-12-15-27(16-13-25)30-19-32(29-17-14-26-10-6-7-11-28(26)18-29)37-34(31(30)20-35)39-22-33(38)36-21-24-8-4-3-5-9-24/h3-5,8-9,12-19,23H,6-7,10-11,21-22H2,1-2H3,(H,36,38).
What are the key properties of N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide?
N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide has a molecular weight of 515.66 g/mol, XLogP of 6.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 44515158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).