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

C27H28N4O2 — CID 44515157

IUPAC2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NN)c2C#N)cc1
InChIInChI=1S/C27H28N4O2/c1-17(2)18-7-10-20(11-8-18)23-14-25(22-12-9-19-5-3-4-6-21(19)13-22)30-27(24(23)15-28)33-16-26(32)31-29/h7-14,17H,3-6,16,29H2,1-2H3,(H,31,32)
InChIKeyUAFLVLOHXHZQHA-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.66
Rot. Bonds6

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

2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide (PubChem CID 44515157) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide.

Molecular Properties

Compound Name2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide
PubChem CID44515157
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NN)c2C#N)cc1
InChIInChI=1S/C27H28N4O2/c1-17(2)18-7-10-20(11-8-18)23-14-25(22-12-9-19-5-3-4-6-21(19)13-22)30-27(24(23)15-28)33-16-26(32)31-29/h7-14,17H,3-6,16,29H2,1-2H3,(H,31,32)
InChIKeyUAFLVLOHXHZQHA-UHFFFAOYSA-N
XLogP4.66
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide?
The IUPAC name of 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide (CID 44515157) is 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide.
What is the SMILES notation for 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide?
The canonical SMILES for 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide is CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NN)c2C#N)cc1.
What is the InChIKey of 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide?
The InChIKey is UAFLVLOHXHZQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-17(2)18-7-10-20(11-8-18)23-14-25(22-12-9-19-5-3-4-6-21(19)13-22)30-27(24(23)15-28)33-16-26(32)31-29/h7-14,17H,3-6,16,29H2,1-2H3,(H,31,32).
What are the key properties of 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide?
2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide has a molecular weight of 440.55 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-pyridinyl]oxy]acetohydrazide is sourced from PubChem (CID 44515157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).