[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate

C24H23FN4O4 — CID 2469202

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Nc1ccccc1F)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H23FN4O4/c25-20-5-1-2-6-21(20)28-23-19(4-3-11-26-23)24(31)33-16-22(30)27-17-7-9-18(10-8-17)29-12-14-32-15-13-29/h1-11H,12-16H2,(H,26,28)(H,27,30)
InChIKeyVLLYWQROGQOCOM-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.60
Rot. Bonds7

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 2469202) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
PubChem CID2469202
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Nc1ccccc1F)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H23FN4O4/c25-20-5-1-2-6-21(20)28-23-19(4-3-11-26-23)24(31)33-16-22(30)27-17-7-9-18(10-8-17)29-12-14-32-15-13-29/h1-11H,12-16H2,(H,26,28)(H,27,30)
InChIKeyVLLYWQROGQOCOM-UHFFFAOYSA-N
XLogP3.60
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Morniflumate
CID 72106
(Cycloheptylcarbamoyl)methyl 2-aminopyridine-3-carboxylate
CID 8147464
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
[2-(Carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2531853
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544910
Allyl 6-(4-phenylpiperazino)nicotinate
CID 3609289
Methyl 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988226
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-cyanonicotinate
CID 24751574
(2-Amino-2-oxoethyl) 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544894
Nicotinic acid (4-fluoro-phenylcarbamoyl)-methyl ester
CID 656057
Propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 1483238
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-chloropyridine-3-carboxylate
CID 2365011

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate (CID 2469202) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Nc1ccccc1F)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is VLLYWQROGQOCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c25-20-5-1-2-6-21(20)28-23-19(4-3-11-26-23)24(31)33-16-22(30)27-17-7-9-18(10-8-17)29-12-14-32-15-13-29/h1-11H,12-16H2,(H,26,28)(H,27,30).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 2469202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).