ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate

C12H15N3O3 — CID 107143719

IUPACethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CNC(=O)C2)nc1
InChIInChI=1S/C12H15N3O3/c1-2-18-12(17)8-3-4-10(13-6-8)15-9-5-11(16)14-7-9/h3-4,6,9H,2,5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyMIIATQDYSTUZMG-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.56
Rot. Bonds4

About ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate

ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 107143719) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
PubChem CID107143719
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CNC(=O)C2)nc1
InChIInChI=1S/C12H15N3O3/c1-2-18-12(17)8-3-4-10(13-6-8)15-9-5-11(16)14-7-9/h3-4,6,9H,2,5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyMIIATQDYSTUZMG-UHFFFAOYSA-N
XLogP0.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylate
CID 63663382
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 114156991
ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106197591
ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
CID 80712830
ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
CID 64742881
cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322147
ethyl 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 106197604
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
CID 82728827
4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106192160

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate (CID 107143719) is ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2CNC(=O)C2)nc1.
What is the InChIKey of ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is MIIATQDYSTUZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-18-12(17)8-3-4-10(13-6-8)15-9-5-11(16)14-7-9/h3-4,6,9H,2,5,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 107143719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).