N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide

C18H23N5O — CID 77082553

IUPACN-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N(C)Cc3cnccn3)cc2)CC1
InChIInChI=1S/C18H23N5O/c1-21-9-11-23(12-10-21)17-5-3-15(4-6-17)18(24)22(2)14-16-13-19-7-8-20-16/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYNUYIVBLMLOPIY-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.50
Rot. Bonds4

About N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide

N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide (PubChem CID 77082553) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide
PubChem CID77082553
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N(C)Cc3cnccn3)cc2)CC1
InChIInChI=1S/C18H23N5O/c1-21-9-11-23(12-10-21)17-5-3-15(4-6-17)18(24)22(2)14-16-13-19-7-8-20-16/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYNUYIVBLMLOPIY-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 167931324
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide
CID 86286116
4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 123824767
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 86712573
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
4-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]butan-2-one
CID 167537986
N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177376836
3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982556

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide (CID 77082553) is N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide is CN1CCN(c2ccc(C(=O)N(C)Cc3cnccn3)cc2)CC1.
What is the InChIKey of N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide?
The InChIKey is YNUYIVBLMLOPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21-9-11-23(12-10-21)17-5-3-15(4-6-17)18(24)22(2)14-16-13-19-7-8-20-16/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide?
N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide is sourced from PubChem (CID 77082553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).