N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide

C21H24N2O2 — CID 94100172

IUPACN-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
SMILESC[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)N1CCCC1
InChIInChI=1S/C21H24N2O2/c1-15(23-12-6-7-13-23)14-22-21(24)20-16-8-2-4-10-18(16)25-19-11-5-3-9-17(19)20/h2-5,8-11,15,20H,6-7,12-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyATDOAQGVFBXRNC-OAHLLOKOSA-N
MW336.44 g/mol
LogP3.52
Rot. Bonds4

About N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide

N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide (PubChem CID 94100172) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
PubChem CID94100172
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
SMILESC[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)N1CCCC1
InChIInChI=1S/C21H24N2O2/c1-15(23-12-6-7-13-23)14-22-21(24)20-16-8-2-4-10-18(16)25-19-11-5-3-9-17(19)20/h2-5,8-11,15,20H,6-7,12-14H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyATDOAQGVFBXRNC-OAHLLOKOSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide (CID 94100172) is N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide is C[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)N1CCCC1.
What is the InChIKey of N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide?
The InChIKey is ATDOAQGVFBXRNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(23-12-6-7-13-23)14-22-21(24)20-16-8-2-4-10-18(16)25-19-11-5-3-9-17(19)20/h2-5,8-11,15,20H,6-7,12-14H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide?
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 94100172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).