2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide

C20H18FN3O2 — CID 56675749

IUPAC2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/O)N(C)c2ccccc2)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O2/c1-14-11-12-18(19(23-25)24(2)16-8-4-3-5-9-16)20(22-14)26-17-10-6-7-15(21)13-17/h3-13,25H,1-2H3/b23-19-
InChIKeyBLDUHKOABDQZHF-NMWGTECJSA-N
MW351.38 g/mol
LogP4.59
Rot. Bonds4

About 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide

2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide (PubChem CID 56675749) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide
PubChem CID56675749
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/O)N(C)c2ccccc2)c(Oc2cccc(F)c2)n1
InChIInChI=1S/C20H18FN3O2/c1-14-11-12-18(19(23-25)24(2)16-8-4-3-5-9-16)20(22-14)26-17-10-6-7-15(21)13-17/h3-13,25H,1-2H3/b23-19-
InChIKeyBLDUHKOABDQZHF-NMWGTECJSA-N
XLogP4.59
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide
CID 56658990
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62783634
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
1-(3-fluorophenoxy)-4-methylphthalazine
CID 20971235
3-(3-fluorophenoxy)-5-methyl-1,2,4-triazine
CID 53381937
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide (CID 56675749) is 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide is Cc1ccc(/C(=N/O)N(C)c2ccccc2)c(Oc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide?
The InChIKey is BLDUHKOABDQZHF-NMWGTECJSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-11-12-18(19(23-25)24(2)16-8-4-3-5-9-16)20(22-14)26-17-10-6-7-15(21)13-17/h3-13,25H,1-2H3/b23-19-.
What are the key properties of 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide?
2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide has a molecular weight of 351.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide is sourced from PubChem (CID 56675749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).