3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide

C13H20N4O — CID 112578815

IUPAC3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
SMILESNC(=O)c1cccc(N)c1NCCN1CCCC1
InChIInChI=1S/C13H20N4O/c14-11-5-3-4-10(13(15)18)12(11)16-6-9-17-7-1-2-8-17/h3-5,16H,1-2,6-9,14H2,(H2,15,18)
InChIKeyNKNSAYJKHWNHIV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.88
Rot. Bonds5

About 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide

3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide (PubChem CID 112578815) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
PubChem CID112578815
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
SMILESNC(=O)c1cccc(N)c1NCCN1CCCC1
InChIInChI=1S/C13H20N4O/c14-11-5-3-4-10(13(15)18)12(11)16-6-9-17-7-1-2-8-17/h3-5,16H,1-2,6-9,14H2,(H2,15,18)
InChIKeyNKNSAYJKHWNHIV-UHFFFAOYSA-N
XLogP0.88
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-(2-pyrrolidin-1-ylethylamino)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-2-(2-piperidin-1-ylethylamino)benzoic acid
CID 112578505
2-N-[2-(azepan-1-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333701
3-methyl-2-(2-pyrrolidin-1-ylethylamino)benzenecarbothioamide
CID 107108207
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 115545405
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 69180819
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
3-amino-2-(5,5,5-trifluoropentylamino)benzamide
CID 112579360
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide?
The IUPAC name of 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide (CID 112578815) is 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide.
What is the SMILES notation for 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide?
The canonical SMILES for 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide is NC(=O)c1cccc(N)c1NCCN1CCCC1.
What is the InChIKey of 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide?
The InChIKey is NKNSAYJKHWNHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-11-5-3-4-10(13(15)18)12(11)16-6-9-17-7-1-2-8-17/h3-5,16H,1-2,6-9,14H2,(H2,15,18).
What are the key properties of 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide?
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide has a molecular weight of 248.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide is sourced from PubChem (CID 112578815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).