N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide

C26H27FN4O4 — CID 3220064

IUPACN'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide
SMILESCOc1ccccc1NC(=O)C(=O)N(c1cccnc1)C(C(=O)NC(C)(C)C)c1ccccc1F
InChIInChI=1S/C26H27FN4O4/c1-26(2,3)30-23(32)22(18-11-5-6-12-19(18)27)31(17-10-9-15-28-16-17)25(34)24(33)29-20-13-7-8-14-21(20)35-4/h5-16,22H,1-4H3,(H,29,33)(H,30,32)
InChIKeyIHUNOWDYVHOEQC-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.86
Rot. Bonds6

About N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide

N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide (PubChem CID 3220064) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide
PubChem CID3220064
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC NameN'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide
SMILESCOc1ccccc1NC(=O)C(=O)N(c1cccnc1)C(C(=O)NC(C)(C)C)c1ccccc1F
InChIInChI=1S/C26H27FN4O4/c1-26(2,3)30-23(32)22(18-11-5-6-12-19(18)27)31(17-10-9-15-28-16-17)25(34)24(33)29-20-13-7-8-14-21(20)35-4/h5-16,22H,1-4H3,(H,29,33)(H,30,32)
InChIKeyIHUNOWDYVHOEQC-UHFFFAOYSA-N
XLogP3.86
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
The IUPAC name of N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide (CID 3220064) is N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide.
What is the SMILES notation for N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
The canonical SMILES for N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide is COc1ccccc1NC(=O)C(=O)N(c1cccnc1)C(C(=O)NC(C)(C)C)c1ccccc1F.
What is the InChIKey of N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
The InChIKey is IHUNOWDYVHOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-26(2,3)30-23(32)22(18-11-5-6-12-19(18)27)31(17-10-9-15-28-16-17)25(34)24(33)29-20-13-7-8-14-21(20)35-4/h5-16,22H,1-4H3,(H,29,33)(H,30,32).
What are the key properties of N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide has a molecular weight of 478.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide is sourced from PubChem (CID 3220064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).