6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine

C16H20N4 — CID 110271375

IUPAC6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESc1cc(NCc2ccncc2)nc(C2CCCNC2)c1
InChIInChI=1S/C16H20N4/c1-4-15(14-3-2-8-18-12-14)20-16(5-1)19-11-13-6-9-17-10-7-13/h1,4-7,9-10,14,18H,2-3,8,11-12H2,(H,19,20)
InChIKeyVVBDFVICXMOJSX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds4

About 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine

6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 110271375) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID110271375
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESc1cc(NCc2ccncc2)nc(C2CCCNC2)c1
InChIInChI=1S/C16H20N4/c1-4-15(14-3-2-8-18-12-14)20-16(5-1)19-11-13-6-9-17-10-7-13/h1,4-7,9-10,14,18H,2-3,8,11-12H2,(H,19,20)
InChIKeyVVBDFVICXMOJSX-UHFFFAOYSA-N
XLogP2.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 110271375) is 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine is c1cc(NCc2ccncc2)nc(C2CCCNC2)c1.
What is the InChIKey of 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is VVBDFVICXMOJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-4-15(14-3-2-8-18-12-14)20-16(5-1)19-11-13-6-9-17-10-7-13/h1,4-7,9-10,14,18H,2-3,8,11-12H2,(H,19,20).
What are the key properties of 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 110271375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).