3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide

C13H20N4O — CID 83013438

IUPAC3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H20N4O/c1-10-11(4-3-5-12(10)14)13(18)15-17-8-6-16(2)7-9-17/h3-5H,6-9,14H2,1-2H3,(H,15,18)
InChIKeyZDMRTMIHQKAULC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.47
Rot. Bonds2

About 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide

3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 83013438) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID83013438
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H20N4O/c1-10-11(4-3-5-12(10)14)13(18)15-17-8-6-16(2)7-9-17/h3-5H,6-9,14H2,1-2H3,(H,15,18)
InChIKeyZDMRTMIHQKAULC-UHFFFAOYSA-N
XLogP0.47
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-piperidin-1-ylbenzamide
CID 83012797
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
3-(3-aminoprop-1-ynyl)-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016925
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
CID 82212559
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
3-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 872229
2-formamido-N-(4-methylpiperazin-1-yl)benzamide
CID 168653894
3-amino-2-(4-methylpiperazin-1-yl)benzoic acid
CID 84698678
2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 110475168

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide (CID 83013438) is 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide is Cc1c(N)cccc1C(=O)NN1CCN(C)CC1.
What is the InChIKey of 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is ZDMRTMIHQKAULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-11(4-3-5-12(10)14)13(18)15-17-8-6-16(2)7-9-17/h3-5H,6-9,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide?
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 83013438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).