2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide

C19H23FN4O3 — CID 56672848

IUPAC2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CCN2CCOCC2)NO)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4O3/c1-14-5-6-17(19(22-14)27-16-4-2-3-15(20)13-16)18(23-25)21-7-8-24-9-11-26-12-10-24/h2-6,13,25H,7-12H2,1H3,(H,21,23)
InChIKeyFQEGRCHPARLBKS-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.38
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide

2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide (PubChem CID 56672848) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide
PubChem CID56672848
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CCN2CCOCC2)NO)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4O3/c1-14-5-6-17(19(22-14)27-16-4-2-3-15(20)13-16)18(23-25)21-7-8-24-9-11-26-12-10-24/h2-6,13,25H,7-12H2,1H3,(H,21,23)
InChIKeyFQEGRCHPARLBKS-UHFFFAOYSA-N
XLogP2.38
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide (CID 56672848) is 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide is Cc1ccc(/C(=N/CCN2CCOCC2)NO)c(Oc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide?
The InChIKey is FQEGRCHPARLBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-14-5-6-17(19(22-14)27-16-4-2-3-15(20)13-16)18(23-25)21-7-8-24-9-11-26-12-10-24/h2-6,13,25H,7-12H2,1H3,(H,21,23).
What are the key properties of 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide?
2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide has a molecular weight of 374.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-morpholin-4-ylethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56672848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).