5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine

C27H29N5O — CID 138320060

IUPAC5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine
SMILESNCc1ccc(-c2ncc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C27H29N5O/c28-15-19-1-3-22(4-2-19)26-27(23-7-5-21(6-8-23)24-11-14-33-18-24)32-25(17-31-26)30-16-20-9-12-29-13-10-20/h1-8,11,14,17-18,20,29H,9-10,12-13,15-16,28H2,(H,30,32)
InChIKeyINAQUPORVOZIIL-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.94
Rot. Bonds7

About 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine

5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine (PubChem CID 138320060) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine
PubChem CID138320060
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine
SMILESNCc1ccc(-c2ncc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C27H29N5O/c28-15-19-1-3-22(4-2-19)26-27(23-7-5-21(6-8-23)24-11-14-33-18-24)32-25(17-31-26)30-16-20-9-12-29-13-10-20/h1-8,11,14,17-18,20,29H,9-10,12-13,15-16,28H2,(H,30,32)
InChIKeyINAQUPORVOZIIL-UHFFFAOYSA-N
XLogP4.94
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine (CID 138320060) is 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine is NCc1ccc(-c2ncc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
The InChIKey is INAQUPORVOZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c28-15-19-1-3-22(4-2-19)26-27(23-7-5-21(6-8-23)24-11-14-33-18-24)32-25(17-31-26)30-16-20-9-12-29-13-10-20/h1-8,11,14,17-18,20,29H,9-10,12-13,15-16,28H2,(H,30,32).
What are the key properties of 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine?
5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine has a molecular weight of 439.56 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 138320060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).