N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide

C25H24N8O — CID 66836490

IUPACN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccccc1
InChIInChI=1S/C25H24N8O/c34-25(18-4-2-1-3-5-18)30-20-15-21(31-22(16-20)32-23-17-27-8-9-28-23)19-6-7-29-24(14-19)33-12-10-26-11-13-33/h1-9,14-17,26H,10-13H2,(H2,28,30,31,32,34)
InChIKeyPUBMBUWJIMQIFL-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide

N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide (PubChem CID 66836490) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
PubChem CID66836490
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccccc1
InChIInChI=1S/C25H24N8O/c34-25(18-4-2-1-3-5-18)30-20-15-21(31-22(16-20)32-23-17-27-8-9-28-23)19-6-7-29-24(14-19)33-12-10-26-11-13-33/h1-9,14-17,26H,10-13H2,(H2,28,30,31,32,34)
InChIKeyPUBMBUWJIMQIFL-UHFFFAOYSA-N
XLogP3.34
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
The IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide (CID 66836490) is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
The canonical SMILES for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide is O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccccc1.
What is the InChIKey of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
The InChIKey is PUBMBUWJIMQIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c34-25(18-4-2-1-3-5-18)30-20-15-21(31-22(16-20)32-23-17-27-8-9-28-23)19-6-7-29-24(14-19)33-12-10-26-11-13-33/h1-9,14-17,26H,10-13H2,(H2,28,30,31,32,34).
What are the key properties of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide has a molecular weight of 452.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide is sourced from PubChem (CID 66836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).