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

C26H26N4O5 — CID 24567636

IUPAC[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C26H26N4O5/c1-2-34-21-12-10-18(11-13-21)29-24-22(7-4-14-27-24)26(33)35-16-23(31)28-20-6-3-5-17(15-20)25(32)30-19-8-9-19/h3-7,10-15,19H,2,8-9,16H2,1H3,(H,27,29)(H,28,31)(H,30,32)
InChIKeyXMQCKQYSESEGLS-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.91
Rot. Bonds10

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

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (PubChem CID 24567636) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
PubChem CID24567636
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C26H26N4O5/c1-2-34-21-12-10-18(11-13-21)29-24-22(7-4-14-27-24)26(33)35-16-23(31)28-20-6-3-5-17(15-20)25(32)30-19-8-9-19/h3-7,10-15,19H,2,8-9,16H2,1H3,(H,27,29)(H,28,31)(H,30,32)
InChIKeyXMQCKQYSESEGLS-UHFFFAOYSA-N
XLogP3.91
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
[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-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967528
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
2-(4-ethoxyanilino)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 166402840
ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
CID 110439896
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (CID 24567636) is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The InChIKey is XMQCKQYSESEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-2-34-21-12-10-18(11-13-21)29-24-22(7-4-14-27-24)26(33)35-16-23(31)28-20-6-3-5-17(15-20)25(32)30-19-8-9-19/h3-7,10-15,19H,2,8-9,16H2,1H3,(H,27,29)(H,28,31)(H,30,32).
What are the key properties of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate has a molecular weight of 474.52 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 24567636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).