5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine

C25H31N5 — CID 164620536

IUPAC5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESNCc1ccc(-c2ccc(NCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C25H31N5/c26-15-18-1-5-21(6-2-18)23-9-10-24(29-17-20-11-13-28-14-12-20)30-25(23)22-7-3-19(16-27)4-8-22/h1-10,20,28H,11-17,26-27H2,(H,29,30)
InChIKeyPODRRBMQJAFUCL-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.74
Rot. Bonds7

About 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine

5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 164620536) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID164620536
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESNCc1ccc(-c2ccc(NCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C25H31N5/c26-15-18-1-5-21(6-2-18)23-9-10-24(29-17-20-11-13-28-14-12-20)30-25(23)22-7-3-19(16-27)4-8-22/h1-10,20,28H,11-17,26-27H2,(H,29,30)
InChIKeyPODRRBMQJAFUCL-UHFFFAOYSA-N
XLogP3.74
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 164620536) is 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine is NCc1ccc(-c2ccc(NCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1.
What is the InChIKey of 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is PODRRBMQJAFUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c26-15-18-1-5-21(6-2-18)23-9-10-24(29-17-20-11-13-28-14-12-20)30-25(23)22-7-3-19(16-27)4-8-22/h1-10,20,28H,11-17,26-27H2,(H,29,30).
What are the key properties of 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine?
5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 401.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 164620536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).