N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide

C19H24N4O — CID 59737553

IUPACN-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C19H24N4O/c1-14-3-8-17(20)18(13-14)21-19(24)15-4-6-16(7-5-15)23-11-9-22(2)10-12-23/h3-8,13H,9-12,20H2,1-2H3,(H,21,24)
InChIKeyBCSJJFZDHPMOIF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.58
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide

N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 59737553) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID59737553
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C19H24N4O/c1-14-3-8-17(20)18(13-14)21-19(24)15-4-6-16(7-5-15)23-11-9-22(2)10-12-23/h3-8,13H,9-12,20H2,1-2H3,(H,21,24)
InChIKeyBCSJJFZDHPMOIF-UHFFFAOYSA-N
XLogP2.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-methyl-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]phenyl]benzamide
CID 59108378
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
5-hydroxy-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(4-methylphenyl)benzamide;methane
CID 157128108
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881655
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide (CID 59737553) is N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(N)c(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is BCSJJFZDHPMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-3-8-17(20)18(13-14)21-19(24)15-4-6-16(7-5-15)23-11-9-22(2)10-12-23/h3-8,13H,9-12,20H2,1-2H3,(H,21,24).
What are the key properties of N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide?
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 59737553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).