6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile

C22H24N6 — CID 72920155

IUPAC6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCCc3cnn(-c4ccccc4)c3)CC2)nc1
InChIInChI=1S/C22H24N6/c23-14-18-6-7-22(25-15-18)27-12-9-20(10-13-27)24-11-8-19-16-26-28(17-19)21-4-2-1-3-5-21/h1-7,15-17,20,24H,8-13H2
InChIKeyQIMROEKEHVNRCC-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.94
Rot. Bonds6

About 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 72920155) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID72920155
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCCc3cnn(-c4ccccc4)c3)CC2)nc1
InChIInChI=1S/C22H24N6/c23-14-18-6-7-22(25-15-18)27-12-9-20(10-13-27)24-11-8-19-16-26-28(17-19)21-4-2-1-3-5-21/h1-7,15-17,20,24H,8-13H2
InChIKeyQIMROEKEHVNRCC-UHFFFAOYSA-N
XLogP2.94
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 72920155) is 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(NCCc3cnn(-c4ccccc4)c3)CC2)nc1.
What is the InChIKey of 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QIMROEKEHVNRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c23-14-18-6-7-22(25-15-18)27-12-9-20(10-13-27)24-11-8-19-16-26-28(17-19)21-4-2-1-3-5-21/h1-7,15-17,20,24H,8-13H2.
What are the key properties of 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 372.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 72920155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).