6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine

C21H22N4 — CID 66836931

IUPAC6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cccc(-c3cccc(C4CCNCC4)c3)n2)nc1
InChIInChI=1S/C21H22N4/c1-2-12-23-20(8-1)25-21-9-4-7-19(24-21)18-6-3-5-17(15-18)16-10-13-22-14-11-16/h1-9,12,15-16,22H,10-11,13-14H2,(H,23,24,25)
InChIKeyDRVMHSQVDDEAPF-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.35
Rot. Bonds4

About 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine

6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine (PubChem CID 66836931) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine
PubChem CID66836931
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cccc(-c3cccc(C4CCNCC4)c3)n2)nc1
InChIInChI=1S/C21H22N4/c1-2-12-23-20(8-1)25-21-9-4-7-19(24-21)18-6-3-5-17(15-18)16-10-13-22-14-11-16/h1-9,12,15-16,22H,10-11,13-14H2,(H,23,24,25)
InChIKeyDRVMHSQVDDEAPF-UHFFFAOYSA-N
XLogP4.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine (CID 66836931) is 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine is c1ccc(Nc2cccc(-c3cccc(C4CCNCC4)c3)n2)nc1.
What is the InChIKey of 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is DRVMHSQVDDEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-12-23-20(8-1)25-21-9-4-7-19(24-21)18-6-3-5-17(15-18)16-10-13-22-14-11-16/h1-9,12,15-16,22H,10-11,13-14H2,(H,23,24,25).
What are the key properties of 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine?
6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 66836931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).