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

C22H20FN3O4 — CID 42967528

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H20FN3O4/c1-2-29-16-11-9-15(10-12-16)25-21-17(6-5-13-24-21)22(28)30-14-20(27)26-19-8-4-3-7-18(19)23/h3-13H,2,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyVCDMEAVQIMFUCS-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.16
Rot. Bonds8

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

[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (PubChem CID 42967528) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
PubChem CID42967528
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H20FN3O4/c1-2-29-16-11-9-15(10-12-16)25-21-17(6-5-13-24-21)22(28)30-14-20(27)26-19-8-4-3-7-18(19)23/h3-13H,2,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyVCDMEAVQIMFUCS-UHFFFAOYSA-N
XLogP4.16
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967523
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 55308156
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 24567636
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
[2-(cyclopropylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2546779
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 41030181
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 55398656
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633
[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27908502
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (CID 42967528) is [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The InChIKey is VCDMEAVQIMFUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-2-29-16-11-9-15(10-12-16)25-21-17(6-5-13-24-21)22(28)30-14-20(27)26-19-8-4-3-7-18(19)23/h3-13H,2,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate has a molecular weight of 409.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 42967528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).