3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide

C22H21N5O3 — CID 59472084

IUPAC3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N5O3/c23-20-19(21(28)25-17-7-2-1-3-8-17)26-18(14-24-20)15-5-4-6-16(13-15)22(29)27-9-11-30-12-10-27/h1-8,13-14H,9-12H2,(H2,23,24)(H,25,28)
InChIKeyVWVFPJQFYDTQQZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59472084) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59472084
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N5O3/c23-20-19(21(28)25-17-7-2-1-3-8-17)26-18(14-24-20)15-5-4-6-16(13-15)22(29)27-9-11-30-12-10-27/h1-8,13-14H,9-12H2,(H2,23,24)(H,25,28)
InChIKeyVWVFPJQFYDTQQZ-UHFFFAOYSA-N
XLogP2.45
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 59472084) is 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is VWVFPJQFYDTQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c23-20-19(21(28)25-17-7-2-1-3-8-17)26-18(14-24-20)15-5-4-6-16(13-15)22(29)27-9-11-30-12-10-27/h1-8,13-14H,9-12H2,(H2,23,24)(H,25,28).
What are the key properties of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59472084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).