N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

C20H26N4O2 — CID 56661600

IUPACN-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C2CCC(C)CC2)NO)c(OCc2ccccn2)n1
InChIInChI=1S/C20H26N4O2/c1-14-6-9-16(10-7-14)23-19(24-25)18-11-8-15(2)22-20(18)26-13-17-5-3-4-12-21-17/h3-5,8,11-12,14,16,25H,6-7,9-10,13H2,1-2H3,(H,23,24)
InChIKeyCTNLZEXDBVWLBB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.67
Rot. Bonds5

About N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (PubChem CID 56661600) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
PubChem CID56661600
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C2CCC(C)CC2)NO)c(OCc2ccccn2)n1
InChIInChI=1S/C20H26N4O2/c1-14-6-9-16(10-7-14)23-19(24-25)18-11-8-15(2)22-20(18)26-13-17-5-3-4-12-21-17/h3-5,8,11-12,14,16,25H,6-7,9-10,13H2,1-2H3,(H,23,24)
InChIKeyCTNLZEXDBVWLBB-UHFFFAOYSA-N
XLogP3.67
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (CID 56661600) is N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is Cc1ccc(/C(=N/C2CCC(C)CC2)NO)c(OCc2ccccn2)n1.
What is the InChIKey of N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The InChIKey is CTNLZEXDBVWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-6-9-16(10-7-14)23-19(24-25)18-11-8-15(2)22-20(18)26-13-17-5-3-4-12-21-17/h3-5,8,11-12,14,16,25H,6-7,9-10,13H2,1-2H3,(H,23,24).
What are the key properties of N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide has a molecular weight of 354.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methyl-N'-(4-methylcyclohexyl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56661600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).