N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide

C19H16FN3O2 — CID 76870993

IUPACN'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
SMILESNC(=NOCc1ccc(F)cc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C19H16FN3O2/c20-15-10-8-14(9-11-15)13-24-23-18(21)17-7-4-12-22-19(17)25-16-5-2-1-3-6-16/h1-12H,13H2,(H2,21,23)
InChIKeyDRJJCMBVYQVAQP-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.85
Rot. Bonds6

About N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide

N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide (PubChem CID 76870993) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
PubChem CID76870993
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
SMILESNC(=NOCc1ccc(F)cc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C19H16FN3O2/c20-15-10-8-14(9-11-15)13-24-23-18(21)17-7-4-12-22-19(17)25-16-5-2-1-3-6-16/h1-12H,13H2,(H2,21,23)
InChIKeyDRJJCMBVYQVAQP-UHFFFAOYSA-N
XLogP3.85
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.85
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591206
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 60591154
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
CID 60591153
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
CID 70069253
2-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carboxamide
CID 107709590
[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
CID 30925633
2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
CID 39902767
2-(4-fluorophenoxy)pyridin-3-ol
CID 59089126

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide?
The IUPAC name of N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide (CID 76870993) is N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide?
The canonical SMILES for N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide is NC(=NOCc1ccc(F)cc1)c1cccnc1Oc1ccccc1.
What is the InChIKey of N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide?
The InChIKey is DRJJCMBVYQVAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-15-10-8-14(9-11-15)13-24-23-18(21)17-7-4-12-22-19(17)25-16-5-2-1-3-6-16/h1-12H,13H2,(H2,21,23).
What are the key properties of N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide?
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide has a molecular weight of 337.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide is sourced from PubChem (CID 76870993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).