6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide

C17H21N5O2 — CID 56700572

IUPAC6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCN1CCN(Cc2ccccc2Oc2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C17H21N5O2/c1-21-6-8-22(9-7-21)12-13-4-2-3-5-15(13)24-16-11-19-10-14(20-16)17(18)23/h2-5,10-11H,6-9,12H2,1H3,(H2,18,23)
InChIKeyIUIIWELYLFODAD-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.12
Rot. Bonds5

About 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide

6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide (PubChem CID 56700572) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide
PubChem CID56700572
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCN1CCN(Cc2ccccc2Oc2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C17H21N5O2/c1-21-6-8-22(9-7-21)12-13-4-2-3-5-15(13)24-16-11-19-10-14(20-16)17(18)23/h2-5,10-11H,6-9,12H2,1H3,(H2,18,23)
InChIKeyIUIIWELYLFODAD-UHFFFAOYSA-N
XLogP1.12
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide (CID 56700572) is 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide is CN1CCN(Cc2ccccc2Oc2cncc(C(N)=O)n2)CC1.
What is the InChIKey of 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide?
The InChIKey is IUIIWELYLFODAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-6-8-22(9-7-21)12-13-4-2-3-5-15(13)24-16-11-19-10-14(20-16)17(18)23/h2-5,10-11H,6-9,12H2,1H3,(H2,18,23).
What are the key properties of 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide?
6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-methylpiperazin-1-yl)methyl]phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 56700572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).