6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C21H24N6 — CID 56949221

IUPAC6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)CC4)c3)n2)c1
InChIInChI=1S/C21H24N6/c1-15-5-9-23-20(13-15)26-19-4-2-3-18(25-19)16-6-10-24-21(14-16)27-11-7-17(22)8-12-27/h2-6,9-10,13-14,17H,7-8,11-12,22H2,1H3,(H,23,25,26)
InChIKeyZTNQUJBESUSSBL-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.52
Rot. Bonds4

About 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 56949221) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID56949221
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)CC4)c3)n2)c1
InChIInChI=1S/C21H24N6/c1-15-5-9-23-20(13-15)26-19-4-2-3-18(25-19)16-6-10-24-21(14-16)27-11-7-17(22)8-12-27/h2-6,9-10,13-14,17H,7-8,11-12,22H2,1H3,(H,23,25,26)
InChIKeyZTNQUJBESUSSBL-UHFFFAOYSA-N
XLogP3.52
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 56949221) is 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)CC4)c3)n2)c1.
What is the InChIKey of 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is ZTNQUJBESUSSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-15-5-9-23-20(13-15)26-19-4-2-3-18(25-19)16-6-10-24-21(14-16)27-11-7-17(22)8-12-27/h2-6,9-10,13-14,17H,7-8,11-12,22H2,1H3,(H,23,25,26).
What are the key properties of 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 360.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 56949221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).