methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate

C12H13N3O4 — CID 168696475

IUPACmethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H13N3O4/c1-19-12(18)10-8(3-2-4-14-10)15-6-7(11(13)17)5-9(15)16/h2-4,7H,5-6H2,1H3,(H2,13,17)
InChIKeyYOOIIEROIAUPJN-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.29
Rot. Bonds3

About methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate

methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate (PubChem CID 168696475) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
PubChem CID168696475
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Namemethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H13N3O4/c1-19-12(18)10-8(3-2-4-14-10)15-6-7(11(13)17)5-9(15)16/h2-4,7H,5-6H2,1H3,(H2,13,17)
InChIKeyYOOIIEROIAUPJN-UHFFFAOYSA-N
XLogP-0.29
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-bromo-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696387
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
methyl 2-amino-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)benzoate
CID 168696431
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
methyl 1-(2-iodo-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695320
methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate
CID 168696464
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoate
CID 168696403
methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate
CID 168696363
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690786

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate (CID 168696475) is methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate is COC(=O)c1ncccc1N1CC(C(N)=O)CC1=O.
What is the InChIKey of methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The InChIKey is YOOIIEROIAUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-19-12(18)10-8(3-2-4-14-10)15-6-7(11(13)17)5-9(15)16/h2-4,7H,5-6H2,1H3,(H2,13,17).
What are the key properties of methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate has a molecular weight of 263.25 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 168696475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).