[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate

C19H16FN3O3 — CID 91573991

IUPAC[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate
SMILESNc1cc(Oc2ccc(OC(=O)NCc3ccccc3)c(F)c2)ccn1
InChIInChI=1S/C19H16FN3O3/c20-16-10-14(25-15-8-9-22-18(21)11-15)6-7-17(16)26-19(24)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,22)(H,23,24)
InChIKeyYBMWVNJVGPGXCW-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.88
Rot. Bonds5

About [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate

[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate (PubChem CID 91573991) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate.

Molecular Properties

Compound Name[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate
PubChem CID91573991
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate
SMILESNc1cc(Oc2ccc(OC(=O)NCc3ccccc3)c(F)c2)ccn1
InChIInChI=1S/C19H16FN3O3/c20-16-10-14(25-15-8-9-22-18(21)11-15)6-7-17(16)26-19(24)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,22)(H,23,24)
InChIKeyYBMWVNJVGPGXCW-UHFFFAOYSA-N
XLogP3.88
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
CID 11589321
N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide
CID 10322098
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methylphenyl]carbamothioyl]-2-phenylacetamide
CID 87654266
N'-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]propanediamide
CID 59853083
(2,4-difluorophenyl) 2-(benzylamino)-2-oxoacetate
CID 58981575
benzene;ethyl N-benzylcarbamate
CID 67715166
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-methylphenyl) N-benzylcarbamate
CID 14292552
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide
CID 87651828
2-(2-amino-1-phenylethyl)-N'-[4-[(2-amino-4-pyridinyl)oxy]-2,5-difluorophenyl]propanediamide
CID 66917607
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate?
The IUPAC name of [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate (CID 91573991) is [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate.
What is the SMILES notation for [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate?
The canonical SMILES for [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate is Nc1cc(Oc2ccc(OC(=O)NCc3ccccc3)c(F)c2)ccn1.
What is the InChIKey of [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate?
The InChIKey is YBMWVNJVGPGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-16-10-14(25-15-8-9-22-18(21)11-15)6-7-17(16)26-19(24)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,22)(H,23,24).
What are the key properties of [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate?
[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate has a molecular weight of 353.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate is sourced from PubChem (CID 91573991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).