2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile

C14H17N5 — CID 55201410

IUPAC2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(C)(C#N)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H17N5/c1-14(2,11-16)19-7-5-18(6-8-19)13-9-12(10-15)3-4-17-13/h3-4,9H,5-8H2,1-2H3
InChIKeyZPGSLQNMYYWHSO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.38
Rot. Bonds2

About 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 55201410) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID55201410
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(C)(C#N)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H17N5/c1-14(2,11-16)19-7-5-18(6-8-19)13-9-12(10-15)3-4-17-13/h3-4,9H,5-8H2,1-2H3
InChIKeyZPGSLQNMYYWHSO-UHFFFAOYSA-N
XLogP1.38
TPSA66.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile (CID 55201410) is 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile is CC(C)(C#N)N1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is ZPGSLQNMYYWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-14(2,11-16)19-7-5-18(6-8-19)13-9-12(10-15)3-4-17-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 55201410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).