N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine

C31H30N4O2 — CID 155542846

IUPACN-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESc1cc(-c2ccc(-c3ncc(CNCC4CCNCC4)nc3-c3ccc(-c4ccoc4)cc3)cc2)co1
InChIInChI=1S/C31H30N4O2/c1-5-25(6-2-23(1)27-11-15-36-20-27)30-31(26-7-3-24(4-8-26)28-12-16-37-21-28)35-29(19-34-30)18-33-17-22-9-13-32-14-10-22/h1-8,11-12,15-16,19-22,32-33H,9-10,13-14,17-18H2
InChIKeyFBZWIWQBQTUCKA-UHFFFAOYSA-N
MW490.61 g/mol
LogP6.42
Rot. Bonds8

About N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 155542846) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID155542846
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC NameN-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESc1cc(-c2ccc(-c3ncc(CNCC4CCNCC4)nc3-c3ccc(-c4ccoc4)cc3)cc2)co1
InChIInChI=1S/C31H30N4O2/c1-5-25(6-2-23(1)27-11-15-36-20-27)30-31(26-7-3-24(4-8-26)28-12-16-37-21-28)35-29(19-34-30)18-33-17-22-9-13-32-14-10-22/h1-8,11-12,15-16,19-22,32-33H,9-10,13-14,17-18H2
InChIKeyFBZWIWQBQTUCKA-UHFFFAOYSA-N
XLogP6.42
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine (CID 155542846) is N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine is c1cc(-c2ccc(-c3ncc(CNCC4CCNCC4)nc3-c3ccc(-c4ccoc4)cc3)cc2)co1.
What is the InChIKey of N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is FBZWIWQBQTUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-5-25(6-2-23(1)27-11-15-36-20-27)30-31(26-7-3-24(4-8-26)28-12-16-37-21-28)35-29(19-34-30)18-33-17-22-9-13-32-14-10-22/h1-8,11-12,15-16,19-22,32-33H,9-10,13-14,17-18H2.
What are the key properties of N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 490.61 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,6-bis[4-(furan-3-yl)phenyl]pyrazin-2-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 155542846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).