N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide

C25H25N9O — CID 67128018

IUPACN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C25H25N9O/c35-25(12-18-2-1-4-27-16-18)31-20-14-21(32-22(15-20)33-23-17-28-6-7-29-23)19-3-5-30-24(13-19)34-10-8-26-9-11-34/h1-7,13-17,26H,8-12H2,(H2,29,31,32,33,35)
InChIKeyKCXODYAHORFQEU-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide

N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67128018) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67128018
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C25H25N9O/c35-25(12-18-2-1-4-27-16-18)31-20-14-21(32-22(15-20)33-23-17-28-6-7-29-23)19-3-5-30-24(13-19)34-10-8-26-9-11-34/h1-7,13-17,26H,8-12H2,(H2,29,31,32,33,35)
InChIKeyKCXODYAHORFQEU-UHFFFAOYSA-N
XLogP2.66
TPSA120.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide (CID 67128018) is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1.
What is the InChIKey of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is KCXODYAHORFQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c35-25(12-18-2-1-4-27-16-18)31-20-14-21(32-22(15-20)33-23-17-28-6-7-29-23)19-3-5-30-24(13-19)34-10-8-26-9-11-34/h1-7,13-17,26H,8-12H2,(H2,29,31,32,33,35).
What are the key properties of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide?
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 467.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67128018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).