5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine

C14H16ClN5 — CID 60870212

IUPAC5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cn1
InChIInChI=1S/C14H16ClN5/c15-11-1-4-14(18-9-11)20-7-5-19(6-8-20)12-2-3-13(16)17-10-12/h1-4,9-10H,5-8H2,(H2,16,17)
InChIKeyVOLMFMCSPPJNPV-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.04
Rot. Bonds2

About 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine

5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 60870212) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
PubChem CID60870212
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cn1
InChIInChI=1S/C14H16ClN5/c15-11-1-4-14(18-9-11)20-7-5-19(6-8-20)12-2-3-13(16)17-10-12/h1-4,9-10H,5-8H2,(H2,16,17)
InChIKeyVOLMFMCSPPJNPV-UHFFFAOYSA-N
XLogP2.04
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine (CID 60870212) is 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine is Nc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cn1.
What is the InChIKey of 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is VOLMFMCSPPJNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-11-1-4-14(18-9-11)20-7-5-19(6-8-20)12-2-3-13(16)17-10-12/h1-4,9-10H,5-8H2,(H2,16,17).
What are the key properties of 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine?
5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 60870212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).