N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide

C15H18N4O — CID 122590392

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CC(c3ccccc3)C2)C1
InChIInChI=1S/C15H18N4O/c16-11-18-7-6-14(10-18)17-15(20)19-8-13(9-19)12-4-2-1-3-5-12/h1-5,13-14H,6-10H2,(H,17,20)/t14-/m1/s1
InChIKeyGWAKHLLCMROOOR-CQSZACIVSA-N
MW270.34 g/mol
LogP1.35
Rot. Bonds2

About N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide (PubChem CID 122590392) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide
PubChem CID122590392
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CC(c3ccccc3)C2)C1
InChIInChI=1S/C15H18N4O/c16-11-18-7-6-14(10-18)17-15(20)19-8-13(9-19)12-4-2-1-3-5-12/h1-5,13-14H,6-10H2,(H,17,20)/t14-/m1/s1
InChIKeyGWAKHLLCMROOOR-CQSZACIVSA-N
XLogP1.35
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide 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

CID 31899116
CID 31899116
(S)-N-phenethyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418549
US10343992, Example 207
CID 122590561
US10343992, Example 189
CID 122590629
US10343992, Example 191
CID 122590645
N-((R)-1-cyanopyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 122590666
US10343992, Example 192
CID 122590671
US10343992, Example 193
CID 122590925
US10343992, Example 138
CID 134363543
1-Phenethyl-imidazolidin-2-one
CID 19378891
1-(3-Phenylpropyl)imidazolidin-2-one
CID 46230907
US9670210, Example 12 1-[(3-{[(trans-2-Phenylcyclopropyl)amino]methyl}azetidin-1-yl)carbonyl]piperidine-4-carbonitrile
CID 118290801

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide (CID 122590392) is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide is N#CN1CC[C@@H](NC(=O)N2CC(c3ccccc3)C2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
The InChIKey is GWAKHLLCMROOOR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N4O/c16-11-18-7-6-14(10-18)17-15(20)19-8-13(9-19)12-4-2-1-3-5-12/h1-5,13-14H,6-10H2,(H,17,20)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide is sourced from PubChem (CID 122590392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).