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

C15H25N5O — CID 82991446

IUPAC3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(NCCN2CCN(C)CC2)c(N)c1
InChIInChI=1S/C15H25N5O/c1-17-15(21)12-3-4-14(13(16)11-12)18-5-6-20-9-7-19(2)8-10-20/h3-4,11,18H,5-10,16H2,1-2H3,(H,17,21)
InChIKeyIOYQHRJMJUSOEY-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.29
Rot. Bonds5

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

3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide (PubChem CID 82991446) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
PubChem CID82991446
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(NCCN2CCN(C)CC2)c(N)c1
InChIInChI=1S/C15H25N5O/c1-17-15(21)12-3-4-14(13(16)11-12)18-5-6-20-9-7-19(2)8-10-20/h3-4,11,18H,5-10,16H2,1-2H3,(H,17,21)
InChIKeyIOYQHRJMJUSOEY-UHFFFAOYSA-N
XLogP0.29
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
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CID 83000366
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
3-amino-N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 82989349
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
CID 63357336
3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 67448727
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide (CID 82991446) is 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide is CNC(=O)c1ccc(NCCN2CCN(C)CC2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide?
The InChIKey is IOYQHRJMJUSOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-17-15(21)12-3-4-14(13(16)11-12)18-5-6-20-9-7-19(2)8-10-20/h3-4,11,18H,5-10,16H2,1-2H3,(H,17,21).
What are the key properties of 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide?
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide has a molecular weight of 291.40 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide is sourced from PubChem (CID 82991446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).