3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

C26H28N6O3 — CID 59471743

IUPAC3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H28N6O3/c27-24-23(25(33)29-20-6-8-21(9-7-20)31-10-1-2-11-31)30-22(17-28-24)18-4-3-5-19(16-18)26(34)32-12-14-35-15-13-32/h3-9,16-17H,1-2,10-15H2,(H2,27,28)(H,29,33)
InChIKeyYWYKYOVYPUAAQE-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.05
Rot. Bonds5

About 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide

3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 59471743) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID59471743
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H28N6O3/c27-24-23(25(33)29-20-6-8-21(9-7-20)31-10-1-2-11-31)30-22(17-28-24)18-4-3-5-19(16-18)26(34)32-12-14-35-15-13-32/h3-9,16-17H,1-2,10-15H2,(H2,27,28)(H,29,33)
InChIKeyYWYKYOVYPUAAQE-UHFFFAOYSA-N
XLogP3.05
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide (CID 59471743) is 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is YWYKYOVYPUAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c27-24-23(25(33)29-20-6-8-21(9-7-20)31-10-1-2-11-31)30-22(17-28-24)18-4-3-5-19(16-18)26(34)32-12-14-35-15-13-32/h3-9,16-17H,1-2,10-15H2,(H2,27,28)(H,29,33).
What are the key properties of 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide?
3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59471743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).