[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C20H22FN3O5 — CID 9344680

IUPAC[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C20H22FN3O5/c1-20(2,3)24(11-16(25)23-14-8-6-13(21)7-9-14)17(26)12-29-19(28)15-5-4-10-22-18(15)27/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyGXDGCLCLRHANCO-UHFFFAOYSA-N
MW403.41 g/mol
LogP1.94
Rot. Bonds6

About [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 9344680) has the molecular formula C20H22FN3O5 and a molecular weight of 403.41 g/mol. Its IUPAC name is [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID9344680
Molecular FormulaC20H22FN3O5
Molecular Weight403.41 g/mol
Exact Mass403.15
IUPAC Name[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C20H22FN3O5/c1-20(2,3)24(11-16(25)23-14-8-6-13(21)7-9-14)17(26)12-29-19(28)15-5-4-10-22-18(15)27/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyGXDGCLCLRHANCO-UHFFFAOYSA-N
XLogP1.94
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate with MolForge

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2350817
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate
CID 9014971
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 9202015
[2-(4-iodoanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2379470
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2411097
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2419201
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786352
2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9286965
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11925010
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 9344680) is [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccc[nH]c1=O.
What is the InChIKey of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is GXDGCLCLRHANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O5/c1-20(2,3)24(11-16(25)23-14-8-6-13(21)7-9-14)17(26)12-29-19(28)15-5-4-10-22-18(15)27/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 403.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 9344680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).