ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate

C13H17N3O3 — CID 106258348

IUPACethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CCN(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-3-19-13(18)9-5-4-7-14-11(9)15-10-6-8-16(2)12(10)17/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMBCMEKPETVLCRP-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.90
Rot. Bonds4

About ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate

ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 106258348) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
PubChem CID106258348
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nameethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CCN(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-3-19-13(18)9-5-4-7-14-11(9)15-10-6-8-16(2)12(10)17/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMBCMEKPETVLCRP-UHFFFAOYSA-N
XLogP0.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate (CID 106258348) is ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC1CCN(C)C1=O.
What is the InChIKey of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is MBCMEKPETVLCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-19-13(18)9-5-4-7-14-11(9)15-10-6-8-16(2)12(10)17/h4-5,7,10H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate?
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 106258348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).