3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide

C12H15N3O2 — CID 79688346

IUPAC3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)N[C@@H]2CCNC2)c1
InChIInChI=1S/C12H15N3O2/c13-11(16)8-2-1-3-9(6-8)12(17)15-10-4-5-14-7-10/h1-3,6,10,14H,4-5,7H2,(H2,13,16)(H,15,17)/t10-/m1/s1
InChIKeyLOYOGMGUEUTYTD-SNVBAGLBSA-N
MW233.27 g/mol
LogP-0.12
Rot. Bonds3

About 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide

3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide (PubChem CID 79688346) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
PubChem CID79688346
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)N[C@@H]2CCNC2)c1
InChIInChI=1S/C12H15N3O2/c13-11(16)8-2-1-3-9(6-8)12(17)15-10-4-5-14-7-10/h1-3,6,10,14H,4-5,7H2,(H2,13,16)(H,15,17)/t10-/m1/s1
InChIKeyLOYOGMGUEUTYTD-SNVBAGLBSA-N
XLogP-0.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide 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-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-piperidin-3-ylbenzamide
CID 22017045
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide (CID 79688346) is 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)N[C@@H]2CCNC2)c1.
What is the InChIKey of 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide?
The InChIKey is LOYOGMGUEUTYTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-11(16)8-2-1-3-9(6-8)12(17)15-10-4-5-14-7-10/h1-3,6,10,14H,4-5,7H2,(H2,13,16)(H,15,17)/t10-/m1/s1.
What are the key properties of 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide?
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide has a molecular weight of 233.27 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 79688346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).