5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile

C16H17N5 — CID 115490476

IUPAC5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cn1
InChIInChI=1S/C16H17N5/c17-11-14-3-6-16(12-19-14)21-9-7-20(8-10-21)15-4-1-13(18)2-5-15/h1-6,12H,7-10,18H2
InChIKeyOZFFYCYITRDYFN-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.86
Rot. Bonds2

About 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile

5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 115490476) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID115490476
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cn1
InChIInChI=1S/C16H17N5/c17-11-14-3-6-16(12-19-14)21-9-7-20(8-10-21)15-4-1-13(18)2-5-15/h1-6,12H,7-10,18H2
InChIKeyOZFFYCYITRDYFN-UHFFFAOYSA-N
XLogP1.86
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
4-[4-(6-amino-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 60870023
5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 146078102
5-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 107110581
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 155974846
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133369865
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 115490476) is 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is OZFFYCYITRDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-11-14-3-6-16(12-19-14)21-9-7-20(8-10-21)15-4-1-13(18)2-5-15/h1-6,12H,7-10,18H2.
What are the key properties of 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 115490476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).