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

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Related Compounds

3-methyl-4-(9H-xanthene-9-carbonylamino)butanoic acid
CID 120537025
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide
CID 9049776
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-xanthene-9-carboxamide
CID 141363455
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium
CID 2550517
N-[(1-phenylpyrrolidin-2-yl)methyl]-9H-xanthene-9-carboxamide
CID 90619794
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 94825344
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 122254285
N-[(2-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669612
N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
CID 71787480
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-9H-xanthene-9-carboxamide
CID 100728569

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).