6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid

C14H15N3O3 — CID 66450502

IUPAC6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c18-7-6-17(10-11-4-2-1-3-5-11)13-9-15-8-12(16-13)14(19)20/h1-5,8-9,18H,6-7,10H2,(H,19,20)
InChIKeyBLNQOJGWQKCVTB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.17
Rot. Bonds6

About 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid

6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66450502) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
PubChem CID66450502
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c18-7-6-17(10-11-4-2-1-3-5-11)13-9-15-8-12(16-13)14(19)20/h1-5,8-9,18H,6-7,10H2,(H,19,20)
InChIKeyBLNQOJGWQKCVTB-UHFFFAOYSA-N
XLogP1.17
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[benzyl(2-hydroxyethyl)amino]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

Related Compounds

6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 107480405
6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 66456627
6-[benzyl(2-hydroxyethyl)amino]pyridine-2-carbothioamide
CID 64593716
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylic acid
CID 102994014
2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 62115116
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
CID 79826901
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol
CID 114765175
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063
pyrazine-2,6-dicarboxylic acid
CID 11601391
6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456809

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid (CID 66450502) is 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is BLNQOJGWQKCVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-7-6-17(10-11-4-2-1-3-5-11)13-9-15-8-12(16-13)14(19)20/h1-5,8-9,18H,6-7,10H2,(H,19,20).
What are the key properties of 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid?
6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66450502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).