5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid

C19H26N4O2 — CID 122057704

IUPAC5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid
SMILESCCc1ccc(C(CNc2cnc(C(=O)O)cn2)N(CC)CC)cc1
InChIInChI=1S/C19H26N4O2/c1-4-14-7-9-15(10-8-14)17(23(5-2)6-3)12-22-18-13-20-16(11-21-18)19(24)25/h7-11,13,17H,4-6,12H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyJDTWKTOVYNCNCL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.23
Rot. Bonds9

About 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid

5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122057704) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid
PubChem CID122057704
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid
SMILESCCc1ccc(C(CNc2cnc(C(=O)O)cn2)N(CC)CC)cc1
InChIInChI=1S/C19H26N4O2/c1-4-14-7-9-15(10-8-14)17(23(5-2)6-3)12-22-18-13-20-16(11-21-18)19(24)25/h7-11,13,17H,4-6,12H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyJDTWKTOVYNCNCL-UHFFFAOYSA-N
XLogP3.23
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048084
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
5-(ethylamino)-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 107375022
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
5-[2-(2-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048266
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047756
5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053074
4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034736

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid (CID 122057704) is 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid is CCc1ccc(C(CNc2cnc(C(=O)O)cn2)N(CC)CC)cc1.
What is the InChIKey of 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is JDTWKTOVYNCNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-14-7-9-15(10-8-14)17(23(5-2)6-3)12-22-18-13-20-16(11-21-18)19(24)25/h7-11,13,17H,4-6,12H2,1-3H3,(H,21,22)(H,24,25).
What are the key properties of 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid?
5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).