3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide

C17H21N5O2 — CID 122185552

IUPAC3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2)nc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N5O2/c18-16-15(17(23)19-6-7-22-8-10-24-11-9-22)21-14(12-20-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,18,20)(H,19,23)
InChIKeyJITJHSBSNXYFFC-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.79
Rot. Bonds5

About 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide

3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide (PubChem CID 122185552) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide
PubChem CID122185552
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2)nc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N5O2/c18-16-15(17(23)19-6-7-22-8-10-24-11-9-22)21-14(12-20-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,18,20)(H,19,23)
InChIKeyJITJHSBSNXYFFC-UHFFFAOYSA-N
XLogP0.79
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide (CID 122185552) is 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccccc2)nc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide?
The InChIKey is JITJHSBSNXYFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-16-15(17(23)19-6-7-22-8-10-24-11-9-22)21-14(12-20-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,18,20)(H,19,23).
What are the key properties of 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide?
3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-morpholin-4-ylethyl)-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 122185552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).