N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide

C22H31N7O2 — CID 90654806

IUPACN-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide
SMILESCC(=O)NCC(O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
InChIKeyKGKKYNPHBHTGSO-UHFFFAOYSA-N
MW425.54 g/mol
LogP0.76
Rot. Bonds7

About N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide

N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide (PubChem CID 90654806) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide
PubChem CID90654806
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC NameN-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide
SMILESCC(=O)NCC(O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
InChIKeyKGKKYNPHBHTGSO-UHFFFAOYSA-N
XLogP0.76
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide (CID 90654806) is N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide is CC(=O)NCC(O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1.
What is the InChIKey of N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide?
The InChIKey is KGKKYNPHBHTGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30).
What are the key properties of N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide?
N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 90654806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).