2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile

C16H18N6O — CID 129482332

IUPAC2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCN(c2ncccc2C#N)C[C@@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H18N6O/c1-21-7-8-22(15-12(9-17)3-2-6-18-15)10-13(21)16-19-14(20-23-16)11-4-5-11/h2-3,6,11,13H,4-5,7-8,10H2,1H3/t13-/m1/s1
InChIKeyGNVIZBPDPXIRDW-CYBMUJFWSA-N
MW310.36 g/mol
LogP1.71
Rot. Bonds3

About 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile

2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 129482332) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID129482332
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCN(c2ncccc2C#N)C[C@@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H18N6O/c1-21-7-8-22(15-12(9-17)3-2-6-18-15)10-13(21)16-19-14(20-23-16)11-4-5-11/h2-3,6,11,13H,4-5,7-8,10H2,1H3/t13-/m1/s1
InChIKeyGNVIZBPDPXIRDW-CYBMUJFWSA-N
XLogP1.71
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile (CID 129482332) is 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile is CN1CCN(c2ncccc2C#N)C[C@@H]1c1nc(C2CC2)no1.
What is the InChIKey of 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is GNVIZBPDPXIRDW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-7-8-22(15-12(9-17)3-2-6-18-15)10-13(21)16-19-14(20-23-16)11-4-5-11/h2-3,6,11,13H,4-5,7-8,10H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile?
2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 129482332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).