3-amino-4-[cyclopropyl(methyl)amino]benzamide

C11H15N3O — CID 43448462

IUPAC3-amino-4-[cyclopropyl(methyl)amino]benzamide
SMILESCN(c1ccc(C(N)=O)cc1N)C1CC1
InChIInChI=1S/C11H15N3O/c1-14(8-3-4-8)10-5-2-7(11(13)15)6-9(10)12/h2,5-6,8H,3-4,12H2,1H3,(H2,13,15)
InChIKeyAGHFBYWINVILJL-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.97
Rot. Bonds3

About 3-amino-4-[cyclopropyl(methyl)amino]benzamide

3-amino-4-[cyclopropyl(methyl)amino]benzamide (PubChem CID 43448462) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-amino-4-[cyclopropyl(methyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropyl(methyl)amino]benzamide
PubChem CID43448462
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-amino-4-[cyclopropyl(methyl)amino]benzamide
SMILESCN(c1ccc(C(N)=O)cc1N)C1CC1
InChIInChI=1S/C11H15N3O/c1-14(8-3-4-8)10-5-2-7(11(13)15)6-9(10)12/h2,5-6,8H,3-4,12H2,1H3,(H2,13,15)
InChIKeyAGHFBYWINVILJL-UHFFFAOYSA-N
XLogP0.97
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-[cyclopropyl(methyl)amino]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

3-amino-4-[cyclohexyl(methyl)amino]benzoic acid
CID 54888169
3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide
CID 43568852
4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
CID 82808751
3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
CID 82809617
3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
CID 82989264
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
CID 107174129
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
3-amino-4-(dibutylamino)benzamide
CID 43448369
3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
CID 62976085
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide
CID 82810072

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropyl(methyl)amino]benzamide?
The IUPAC name of 3-amino-4-[cyclopropyl(methyl)amino]benzamide (CID 43448462) is 3-amino-4-[cyclopropyl(methyl)amino]benzamide.
What is the SMILES notation for 3-amino-4-[cyclopropyl(methyl)amino]benzamide?
The canonical SMILES for 3-amino-4-[cyclopropyl(methyl)amino]benzamide is CN(c1ccc(C(N)=O)cc1N)C1CC1.
What is the InChIKey of 3-amino-4-[cyclopropyl(methyl)amino]benzamide?
The InChIKey is AGHFBYWINVILJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14(8-3-4-8)10-5-2-7(11(13)15)6-9(10)12/h2,5-6,8H,3-4,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-4-[cyclopropyl(methyl)amino]benzamide?
3-amino-4-[cyclopropyl(methyl)amino]benzamide has a molecular weight of 205.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropyl(methyl)amino]benzamide is sourced from PubChem (CID 43448462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).