N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide

C24H24F2N4O3 — CID 69009335

IUPACN'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide
SMILESCC(C)C=C1NC=CC(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)c(F)c2)=C1N
InChIInChI=1S/C24H24F2N4O3/c1-14(2)11-20-24(27)21(9-10-28-20)33-17-7-8-19(18(26)12-17)30-23(32)13-22(31)29-16-5-3-15(25)4-6-16/h3-12,14,28H,13,27H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyMWCQLLJWZNKHQY-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.14
Rot. Bonds7

About N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide

N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide (PubChem CID 69009335) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide
PubChem CID69009335
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC NameN'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide
SMILESCC(C)C=C1NC=CC(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)c(F)c2)=C1N
InChIInChI=1S/C24H24F2N4O3/c1-14(2)11-20-24(27)21(9-10-28-20)33-17-7-8-19(18(26)12-17)30-23(32)13-22(31)29-16-5-3-15(25)4-6-16/h3-12,14,28H,13,27H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyMWCQLLJWZNKHQY-UHFFFAOYSA-N
XLogP4.14
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.14
H-Bond Donors ≤ 54
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-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide (CID 69009335) is N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide is CC(C)C=C1NC=CC(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)c(F)c2)=C1N.
What is the InChIKey of N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The InChIKey is MWCQLLJWZNKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-14(2)11-20-24(27)21(9-10-28-20)33-17-7-8-19(18(26)12-17)30-23(32)13-22(31)29-16-5-3-15(25)4-6-16/h3-12,14,28H,13,27H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide has a molecular weight of 454.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[3-amino-2-(2-methylpropylidene)-1H-pyridin-4-yl]oxy]-2-fluorophenyl]-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 69009335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).