6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid

C20H23N3O4 — CID 146346942

IUPAC6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid
SMILESCC(=O)N1CCC[C@@]1(C)COc1ccc(-c2cncc(C(=O)O)n2)cc1C
InChIInChI=1S/C20H23N3O4/c1-13-9-15(16-10-21-11-17(22-16)19(25)26)5-6-18(13)27-12-20(3)7-4-8-23(20)14(2)24/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,25,26)/t20-/m0/s1
InChIKeyJVZSCNCCKNIYOH-FQEVSTJZSA-N
MW369.42 g/mol
LogP2.93
Rot. Bonds5

About 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid

6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid (PubChem CID 146346942) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid
PubChem CID146346942
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid
SMILESCC(=O)N1CCC[C@@]1(C)COc1ccc(-c2cncc(C(=O)O)n2)cc1C
InChIInChI=1S/C20H23N3O4/c1-13-9-15(16-10-21-11-17(22-16)19(25)26)5-6-18(13)27-12-20(3)7-4-8-23(20)14(2)24/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,25,26)/t20-/m0/s1
InChIKeyJVZSCNCCKNIYOH-FQEVSTJZSA-N
XLogP2.93
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid (CID 146346942) is 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid is CC(=O)N1CCC[C@@]1(C)COc1ccc(-c2cncc(C(=O)O)n2)cc1C.
What is the InChIKey of 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid?
The InChIKey is JVZSCNCCKNIYOH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-9-15(16-10-21-11-17(22-16)19(25)26)5-6-18(13)27-12-20(3)7-4-8-23(20)14(2)24/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,25,26)/t20-/m0/s1.
What are the key properties of 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid?
6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(2S)-1-acetyl-2-methylpyrrolidin-2-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 146346942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).