N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide

C23H32N4O2 — CID 56668738

IUPACN'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/O)N(C)C2CCN(C)CC2)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C23H32N4O2/c1-16(2)18-7-6-8-20(15-18)29-23-21(10-9-17(3)24-23)22(25-28)27(5)19-11-13-26(4)14-12-19/h6-10,15-16,19,28H,11-14H2,1-5H3/b25-22-
InChIKeyXRNWVQXQDBKEAQ-LVWGJNHUSA-N
MW396.54 g/mol
LogP4.47
Rot. Bonds5

About N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide

N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide (PubChem CID 56668738) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
PubChem CID56668738
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/O)N(C)C2CCN(C)CC2)c(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C23H32N4O2/c1-16(2)18-7-6-8-20(15-18)29-23-21(10-9-17(3)24-23)22(25-28)27(5)19-11-13-26(4)14-12-19/h6-10,15-16,19,28H,11-14H2,1-5H3/b25-22-
InChIKeyXRNWVQXQDBKEAQ-LVWGJNHUSA-N
XLogP4.47
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
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': 'oxime_1', '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-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide (CID 56668738) is N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide is Cc1ccc(/C(=N/O)N(C)C2CCN(C)CC2)c(Oc2cccc(C(C)C)c2)n1.
What is the InChIKey of N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The InChIKey is XRNWVQXQDBKEAQ-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(2)18-7-6-8-20(15-18)29-23-21(10-9-17(3)24-23)22(25-28)27(5)19-11-13-26(4)14-12-19/h6-10,15-16,19,28H,11-14H2,1-5H3/b25-22-.
What are the key properties of N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide has a molecular weight of 396.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56668738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).