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

C28H30N4O — CID 155194358

IUPAC5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESNCc1ccc(-c2ccc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C28H30N4O/c29-17-20-1-3-23(4-2-20)26-9-10-27(31-18-21-11-14-30-15-12-21)32-28(26)24-7-5-22(6-8-24)25-13-16-33-19-25/h1-10,13,16,19,21,30H,11-12,14-15,17-18,29H2,(H,31,32)
InChIKeyIVPPSTGPCCFZIK-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.55
Rot. Bonds7

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

5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 155194358) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID155194358
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESNCc1ccc(-c2ccc(NCC3CCNCC3)nc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C28H30N4O/c29-17-20-1-3-23(4-2-20)26-9-10-27(31-18-21-11-14-30-15-12-21)32-28(26)24-7-5-22(6-8-24)25-13-16-33-19-25/h1-10,13,16,19,21,30H,11-12,14-15,17-18,29H2,(H,31,32)
InChIKeyIVPPSTGPCCFZIK-UHFFFAOYSA-N
XLogP5.55
TPSA76.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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)pyridin-2-amine?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 155194358) is 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine is NCc1ccc(-c2ccc(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)pyridin-2-amine?
The InChIKey is IVPPSTGPCCFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c29-17-20-1-3-23(4-2-20)26-9-10-27(31-18-21-11-14-30-15-12-21)32-28(26)24-7-5-22(6-8-24)25-13-16-33-19-25/h1-10,13,16,19,21,30H,11-12,14-15,17-18,29H2,(H,31,32).
What are the key properties of 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 438.58 g/mol, XLogP of 5.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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)pyridin-2-amine is sourced from PubChem (CID 155194358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).