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

C16H14N2O5 — CID 1088627

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H14N2O5/c1-22-15(20)11-4-6-13(7-5-11)18-14(19)10-23-16(21)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyMTYHYERPFKGPFL-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.66
Rot. Bonds5

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

[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 1088627) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID1088627
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H14N2O5/c1-22-15(20)11-4-6-13(7-5-11)18-14(19)10-23-16(21)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyMTYHYERPFKGPFL-UHFFFAOYSA-N
XLogP1.66
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414010
(111C)methyl pyridine-3-carboxylate
CID 11309537
[2-(3-bromoanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413271
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413832
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 3-bromobenzoate
CID 7663305
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 5180290
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808357
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133669
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413506
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765544

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate (CID 1088627) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is MTYHYERPFKGPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-22-15(20)11-4-6-13(7-5-11)18-14(19)10-23-16(21)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 1088627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).