[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate

C19H21N3O6 — CID 9414037

IUPAC[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)c2cccnc2)cc1OCC
InChIInChI=1S/C19H21N3O6/c1-3-26-15-8-7-14(10-16(15)27-4-2)21-19(25)22-17(23)12-28-18(24)13-6-5-9-20-11-13/h5-11H,3-4,12H2,1-2H3,(H2,21,22,23,25)
InChIKeyGUJAFOIPQKKQBS-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.38
Rot. Bonds8

About [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate

[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9414037) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9414037
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)c2cccnc2)cc1OCC
InChIInChI=1S/C19H21N3O6/c1-3-26-15-8-7-14(10-16(15)27-4-2)21-19(25)22-17(23)12-28-18(24)13-6-5-9-20-11-13/h5-11H,3-4,12H2,1-2H3,(H2,21,22,23,25)
InChIKeyGUJAFOIPQKKQBS-UHFFFAOYSA-N
XLogP2.38
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate
CID 7813816
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821118
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798734
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698271
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 27045677

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate (CID 9414037) is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate is CCOc1ccc(NC(=O)NC(=O)COC(=O)c2cccnc2)cc1OCC.
What is the InChIKey of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is GUJAFOIPQKKQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-3-26-15-8-7-14(10-16(15)27-4-2)21-19(25)22-17(23)12-28-18(24)13-6-5-9-20-11-13/h5-11H,3-4,12H2,1-2H3,(H2,21,22,23,25).
What are the key properties of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate?
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9414037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).