6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine

C27H35N5O3 — CID 11248578

IUPAC6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(OCCCN3CCOCC3)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C27H35N5O3/c1-3-6-23(22-7-4-10-28-18-22)30-27-20-29-19-24(31-27)21-8-9-25(26(17-21)33-2)35-14-5-11-32-12-15-34-16-13-32/h4,7-10,17-20,23H,3,5-6,11-16H2,1-2H3,(H,30,31)
InChIKeyQZZYSXIWUJBAFE-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.60
Rot. Bonds12

About 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine

6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine (PubChem CID 11248578) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
PubChem CID11248578
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(OCCCN3CCOCC3)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C27H35N5O3/c1-3-6-23(22-7-4-10-28-18-22)30-27-20-29-19-24(31-27)21-8-9-25(26(17-21)33-2)35-14-5-11-32-12-15-34-16-13-32/h4,7-10,17-20,23H,3,5-6,11-16H2,1-2H3,(H,30,31)
InChIKeyQZZYSXIWUJBAFE-UHFFFAOYSA-N
XLogP4.60
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
The IUPAC name of 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine (CID 11248578) is 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine.
What is the SMILES notation for 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
The canonical SMILES for 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine is CCCC(Nc1cncc(-c2ccc(OCCCN3CCOCC3)c(OC)c2)n1)c1cccnc1.
What is the InChIKey of 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
The InChIKey is QZZYSXIWUJBAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-3-6-23(22-7-4-10-28-18-22)30-27-20-29-19-24(31-27)21-8-9-25(26(17-21)33-2)35-14-5-11-32-12-15-34-16-13-32/h4,7-10,17-20,23H,3,5-6,11-16H2,1-2H3,(H,30,31).
What are the key properties of 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine?
6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine has a molecular weight of 477.61 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine is sourced from PubChem (CID 11248578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).