3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid

C13H20N4O2 — CID 79312721

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCCN1CCCC1CN(C)c1nccnc1C(=O)O
InChIInChI=1S/C13H20N4O2/c1-3-17-8-4-5-10(17)9-16(2)12-11(13(18)19)14-6-7-15-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyIRLQDKUBLRCVBY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.10
Rot. Bonds5

About 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid (PubChem CID 79312721) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
PubChem CID79312721
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
SMILESCCN1CCCC1CN(C)c1nccnc1C(=O)O
InChIInChI=1S/C13H20N4O2/c1-3-17-8-4-5-10(17)9-16(2)12-11(13(18)19)14-6-7-15-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyIRLQDKUBLRCVBY-UHFFFAOYSA-N
XLogP1.10
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate
CID 79309782
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 113377335
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79318503
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
CID 104651800
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 79313038
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79311002

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid (CID 79312721) is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid is CCN1CCCC1CN(C)c1nccnc1C(=O)O.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
The InChIKey is IRLQDKUBLRCVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17-8-4-5-10(17)9-16(2)12-11(13(18)19)14-6-7-15-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid?
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 79312721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).