N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide

C20H16F2N4O3 — CID 23153333

IUPACN'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide
SMILESNc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ccn1
InChIInChI=1S/C20H16F2N4O3/c21-12-1-3-13(4-2-12)25-19(27)11-20(28)26-14-5-6-17(16(22)9-14)29-15-7-8-24-18(23)10-15/h1-10H,11H2,(H2,23,24)(H,25,27)(H,26,28)
InChIKeyGFUOJJQVQAOAKK-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.70
Rot. Bonds6

About N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide

N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide (PubChem CID 23153333) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide
PubChem CID23153333
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC NameN'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide
SMILESNc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ccn1
InChIInChI=1S/C20H16F2N4O3/c21-12-1-3-13(4-2-12)25-19(27)11-20(28)26-14-5-6-17(16(22)9-14)29-15-7-8-24-18(23)10-15/h1-10H,11H2,(H2,23,24)(H,25,27)(H,26,28)
InChIKeyGFUOJJQVQAOAKK-UHFFFAOYSA-N
XLogP3.70
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide (CID 23153333) is N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide is Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ccn1.
What is the InChIKey of N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The InChIKey is GFUOJJQVQAOAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c21-12-1-3-13(4-2-12)25-19(27)11-20(28)26-14-5-6-17(16(22)9-14)29-15-7-8-24-18(23)10-15/h1-10H,11H2,(H2,23,24)(H,25,27)(H,26,28).
What are the key properties of N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide has a molecular weight of 398.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 23153333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).