3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide

C17H21N5O3 — CID 126475128

IUPAC3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
SMILESNc1ncc(-c2cccc(C(=O)NCCO)c2)nc1N1CCOCC1
InChIInChI=1S/C17H21N5O3/c18-15-16(22-5-8-25-9-6-22)21-14(11-20-15)12-2-1-3-13(10-12)17(24)19-4-7-23/h1-3,10-11,23H,4-9H2,(H2,18,20)(H,19,24)
InChIKeyNILYHMSOHAIGRQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.28
Rot. Bonds5

About 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide

3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide (PubChem CID 126475128) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
PubChem CID126475128
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
SMILESNc1ncc(-c2cccc(C(=O)NCCO)c2)nc1N1CCOCC1
InChIInChI=1S/C17H21N5O3/c18-15-16(22-5-8-25-9-6-22)21-14(11-20-15)12-2-1-3-13(10-12)17(24)19-4-7-23/h1-3,10-11,23H,4-9H2,(H2,18,20)(H,19,24)
InChIKeyNILYHMSOHAIGRQ-UHFFFAOYSA-N
XLogP0.28
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide 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 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide (CID 126475128) is 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide is Nc1ncc(-c2cccc(C(=O)NCCO)c2)nc1N1CCOCC1.
What is the InChIKey of 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
The InChIKey is NILYHMSOHAIGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-15-16(22-5-8-25-9-6-22)21-14(11-20-15)12-2-1-3-13(10-12)17(24)19-4-7-23/h1-3,10-11,23H,4-9H2,(H2,18,20)(H,19,24).
What are the key properties of 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide?
3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 126475128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).