4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile

C20H22N4 — CID 174557016

IUPAC4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile
SMILESCC1CN(C2CC2)CCN1c1ccc(-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C20H22N4/c1-15-14-23(19-7-8-19)10-11-24(15)20-9-6-18(13-22-20)17-4-2-16(12-21)3-5-17/h2-6,9,13,15,19H,7-8,10-11,14H2,1H3
InChIKeyPAGNODJCGGJVKA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.29
Rot. Bonds3

About 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile

4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile (PubChem CID 174557016) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile
PubChem CID174557016
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile
SMILESCC1CN(C2CC2)CCN1c1ccc(-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C20H22N4/c1-15-14-23(19-7-8-19)10-11-24(15)20-9-6-18(13-22-20)17-4-2-16(12-21)3-5-17/h2-6,9,13,15,19H,7-8,10-11,14H2,1H3
InChIKeyPAGNODJCGGJVKA-UHFFFAOYSA-N
XLogP3.29
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile (CID 174557016) is 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile is CC1CN(C2CC2)CCN1c1ccc(-c2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile?
The InChIKey is PAGNODJCGGJVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-14-23(19-7-8-19)10-11-24(15)20-9-6-18(13-22-20)17-4-2-16(12-21)3-5-17/h2-6,9,13,15,19H,7-8,10-11,14H2,1H3.
What are the key properties of 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile?
4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile has a molecular weight of 318.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 174557016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).