4-amino-3-(cyclopropylamino)benzamide

C10H13N3O — CID 63355783

IUPAC4-amino-3-(cyclopropylamino)benzamide
SMILESNC(=O)c1ccc(N)c(NC2CC2)c1
InChIInChI=1S/C10H13N3O/c11-8-4-1-6(10(12)14)5-9(8)13-7-2-3-7/h1,4-5,7,13H,2-3,11H2,(H2,12,14)
InChIKeyLUIIOLQZSLGNJM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.94
Rot. Bonds3

About 4-amino-3-(cyclopropylamino)benzamide

4-amino-3-(cyclopropylamino)benzamide (PubChem CID 63355783) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-amino-3-(cyclopropylamino)benzamide.

Molecular Properties

Compound Name4-amino-3-(cyclopropylamino)benzamide
PubChem CID63355783
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-amino-3-(cyclopropylamino)benzamide
SMILESNC(=O)c1ccc(N)c(NC2CC2)c1
InChIInChI=1S/C10H13N3O/c11-8-4-1-6(10(12)14)5-9(8)13-7-2-3-7/h1,4-5,7,13H,2-3,11H2,(H2,12,14)
InChIKeyLUIIOLQZSLGNJM-UHFFFAOYSA-N
XLogP0.94
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide
CID 63356653
[4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone
CID 59778728
4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide
CID 63993880
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
4-chloro-3-(thian-4-ylamino)benzamide
CID 43679588
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
CID 64738505
4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
4-(cyclopropylamino)benzamide
CID 103605968
4-(2-bromo-4-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 82797963

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopropylamino)benzamide?
The IUPAC name of 4-amino-3-(cyclopropylamino)benzamide (CID 63355783) is 4-amino-3-(cyclopropylamino)benzamide.
What is the SMILES notation for 4-amino-3-(cyclopropylamino)benzamide?
The canonical SMILES for 4-amino-3-(cyclopropylamino)benzamide is NC(=O)c1ccc(N)c(NC2CC2)c1.
What is the InChIKey of 4-amino-3-(cyclopropylamino)benzamide?
The InChIKey is LUIIOLQZSLGNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-4-1-6(10(12)14)5-9(8)13-7-2-3-7/h1,4-5,7,13H,2-3,11H2,(H2,12,14).
What are the key properties of 4-amino-3-(cyclopropylamino)benzamide?
4-amino-3-(cyclopropylamino)benzamide has a molecular weight of 191.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopropylamino)benzamide is sourced from PubChem (CID 63355783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).