methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate

C13H16N4O4 — CID 168696363

IUPACmethyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate
SMILESCNc1ncc(C(=O)OC)cc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H16N4O4/c1-15-12-9(3-7(5-16-12)13(20)21-2)17-6-8(11(14)19)4-10(17)18/h3,5,8H,4,6H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyDJPKNYUEPHWWPJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.25
Rot. Bonds4

About methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate

methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate (PubChem CID 168696363) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate
PubChem CID168696363
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Namemethyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate
SMILESCNc1ncc(C(=O)OC)cc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H16N4O4/c1-15-12-9(3-7(5-16-12)13(20)21-2)17-6-8(11(14)19)4-10(17)18/h3,5,8H,4,6H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyDJPKNYUEPHWWPJ-UHFFFAOYSA-N
XLogP-0.25
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate
CID 168696464
methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-6-(methylamino)pyridine-3-carboxylate
CID 168656250
methyl 5-bromo-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696387
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoate
CID 168696403
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-cyanobenzoate
CID 168696400
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696475
1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696979
1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50873701
methyl 2-amino-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)benzoate
CID 168696431
methyl 1-(2-amino-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693319
methyl 3-bromo-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-methylbenzoate
CID 168696674
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate (CID 168696363) is methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate is CNc1ncc(C(=O)OC)cc1N1CC(C(N)=O)CC1=O.
What is the InChIKey of methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate?
The InChIKey is DJPKNYUEPHWWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-15-12-9(3-7(5-16-12)13(20)21-2)17-6-8(11(14)19)4-10(17)18/h3,5,8H,4,6H2,1-2H3,(H2,14,19)(H,15,16).
What are the key properties of methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate?
methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate has a molecular weight of 292.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 168696363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).