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

C24H25N3O5 — CID 42967523

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C24H25N3O5/c1-3-30-18-13-11-17(12-14-18)26-23-19(8-7-15-25-23)24(29)32-16-22(28)27-20-9-5-6-10-21(20)31-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyJEVFDEPKYPTLRV-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.42
Rot. Bonds10

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

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (PubChem CID 42967523) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
PubChem CID42967523
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C24H25N3O5/c1-3-30-18-13-11-17(12-14-18)26-23-19(8-7-15-25-23)24(29)32-16-22(28)27-20-9-5-6-10-21(20)31-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyJEVFDEPKYPTLRV-UHFFFAOYSA-N
XLogP4.42
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967528
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 55308156
[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27908502
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 24567636
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
2-[(2-amino-3-pyridinyl)oxy]-N-(2-ethoxyphenyl)acetamide
CID 82055927
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (CID 42967523) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The InChIKey is JEVFDEPKYPTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-3-30-18-13-11-17(12-14-18)26-23-19(8-7-15-25-23)24(29)32-16-22(28)27-20-9-5-6-10-21(20)31-4-2/h5-15H,3-4,16H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 42967523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).