N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine

C19H20N6 — CID 56947489

IUPACN-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine
SMILESc1cc(-c2cccc(Nc3cnccn3)n2)cc(N2CCNCC2)c1
InChIInChI=1S/C19H20N6/c1-3-15(13-16(4-1)25-11-9-20-10-12-25)17-5-2-6-18(23-17)24-19-14-21-7-8-22-19/h1-8,13-14,20H,9-12H2,(H,22,23,24)
InChIKeyKIWUEKMSHPKYPB-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.69
Rot. Bonds4

About N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine

N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine (PubChem CID 56947489) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine
PubChem CID56947489
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine
SMILESc1cc(-c2cccc(Nc3cnccn3)n2)cc(N2CCNCC2)c1
InChIInChI=1S/C19H20N6/c1-3-15(13-16(4-1)25-11-9-20-10-12-25)17-5-2-6-18(23-17)24-19-14-21-7-8-22-19/h1-8,13-14,20H,9-12H2,(H,22,23,24)
InChIKeyKIWUEKMSHPKYPB-UHFFFAOYSA-N
XLogP2.69
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine (CID 56947489) is N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine is c1cc(-c2cccc(Nc3cnccn3)n2)cc(N2CCNCC2)c1.
What is the InChIKey of N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine?
The InChIKey is KIWUEKMSHPKYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-3-15(13-16(4-1)25-11-9-20-10-12-25)17-5-2-6-18(23-17)24-19-14-21-7-8-22-19/h1-8,13-14,20H,9-12H2,(H,22,23,24).
What are the key properties of N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine?
N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-piperazin-1-ylphenyl)-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 56947489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).