6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile

C21H24N6 — CID 72903650

IUPAC6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)nc1
InChIInChI=1S/C21H24N6/c22-14-17-6-7-21(24-15-17)26-12-8-19(9-13-26)23-10-3-11-27-20-5-2-1-4-18(20)16-25-27/h1-2,4-7,15-16,19,23H,3,8-13H2
InChIKeyJDOLUWAWKIGDBI-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.95
Rot. Bonds6

About 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 72903650) has the molecular formula C21H24N6 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID72903650
Molecular FormulaC21H24N6
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)nc1
InChIInChI=1S/C21H24N6/c22-14-17-6-7-21(24-15-17)26-12-8-19(9-13-26)23-10-3-11-27-20-5-2-1-4-18(20)16-25-27/h1-2,4-7,15-16,19,23H,3,8-13H2
InChIKeyJDOLUWAWKIGDBI-UHFFFAOYSA-N
XLogP2.95
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile (CID 72903650) is 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)nc1.
What is the InChIKey of 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JDOLUWAWKIGDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c22-14-17-6-7-21(24-15-17)26-12-8-19(9-13-26)23-10-3-11-27-20-5-2-1-4-18(20)16-25-27/h1-2,4-7,15-16,19,23H,3,8-13H2.
What are the key properties of 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 72903650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).