5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid

C13H18N4O3 — CID 134698275

IUPAC5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCCN1CC(CN(C)c2cnc(C(=O)O)cn2)CC1=O
InChIInChI=1S/C13H18N4O3/c1-3-17-8-9(4-12(17)18)7-16(2)11-6-14-10(5-15-11)13(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyDFFQQABFRYYKEM-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.48
Rot. Bonds5

About 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid

5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid (PubChem CID 134698275) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid
PubChem CID134698275
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCCN1CC(CN(C)c2cnc(C(=O)O)cn2)CC1=O
InChIInChI=1S/C13H18N4O3/c1-3-17-8-9(4-12(17)18)7-16(2)11-6-14-10(5-15-11)13(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyDFFQQABFRYYKEM-UHFFFAOYSA-N
XLogP0.48
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-hydroxycyclobutyl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 107372474
(4R)-1-ethyl-4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 97207107
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide
CID 125178173
1-ethyl-4-[[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-2-one
CID 131897142
2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 134711514
1-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
CID 97453287
N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
CID 95725024
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylpropane-1-sulfonamide
CID 131933501
5-[(3,5-dimethoxyphenyl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 122053247
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide
CID 131945401
1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
CID 119070210
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 42189573

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid (CID 134698275) is 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid is CCN1CC(CN(C)c2cnc(C(=O)O)cn2)CC1=O.
What is the InChIKey of 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The InChIKey is DFFQQABFRYYKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-17-8-9(4-12(17)18)7-16(2)11-6-14-10(5-15-11)13(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 134698275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).