N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide

C16H19ClN6O2 — CID 155218395

IUPACN-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide
SMILESC/N=C(\N=N\C)C(=O)NC1CCC(Oc2cnc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C16H19ClN6O2/c1-19-15(23-20-2)16(24)22-10-3-5-11(6-4-10)25-12-7-13(17)14(8-18)21-9-12/h7,9-11H,3-6H2,1-2H3,(H,22,24)/b19-15-,23-20+
InChIKeyWOBKEAIKHWHINM-ARXDCMEGSA-N
MW362.82 g/mol
LogP2.52
Rot. Bonds3

About N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide

N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide (PubChem CID 155218395) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide
PubChem CID155218395
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC NameN-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide
SMILESC/N=C(\N=N\C)C(=O)NC1CCC(Oc2cnc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C16H19ClN6O2/c1-19-15(23-20-2)16(24)22-10-3-5-11(6-4-10)25-12-7-13(17)14(8-18)21-9-12/h7,9-11H,3-6H2,1-2H3,(H,22,24)/b19-15-,23-20+
InChIKeyWOBKEAIKHWHINM-ARXDCMEGSA-N
XLogP2.52
TPSA112.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide?
The IUPAC name of N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide (CID 155218395) is N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide.
What is the SMILES notation for N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide?
The canonical SMILES for N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide is C/N=C(\N=N\C)C(=O)NC1CCC(Oc2cnc(C#N)c(Cl)c2)CC1.
What is the InChIKey of N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide?
The InChIKey is WOBKEAIKHWHINM-ARXDCMEGSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-19-15(23-20-2)16(24)22-10-3-5-11(6-4-10)25-12-7-13(17)14(8-18)21-9-12/h7,9-11H,3-6H2,1-2H3,(H,22,24)/b19-15-,23-20+.
What are the key properties of N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide?
N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide has a molecular weight of 362.82 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide is sourced from PubChem (CID 155218395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).