N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide

C12H13N3O — CID 18670937

IUPACN-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)C2CCN2)cc1
InChIInChI=1S/C12H13N3O/c13-7-9-1-3-10(4-2-9)8-15-12(16)11-5-6-14-11/h1-4,11,14H,5-6,8H2,(H,15,16)
InChIKeyZIMRBHYLKJIANL-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.54
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide

N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide (PubChem CID 18670937) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
PubChem CID18670937
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)C2CCN2)cc1
InChIInChI=1S/C12H13N3O/c13-7-9-1-3-10(4-2-9)8-15-12(16)11-5-6-14-11/h1-4,11,14H,5-6,8H2,(H,15,16)
InChIKeyZIMRBHYLKJIANL-UHFFFAOYSA-N
XLogP0.54
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
N-[(4-cyanophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215075
N-[(4-cyanophenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 21131950
N-[(4-cyanophenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 162330438
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
2-[(4-cyanophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54936404
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319928
N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63715120

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide (CID 18670937) is N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide is N#Cc1ccc(CNC(=O)C2CCN2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide?
The InChIKey is ZIMRBHYLKJIANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-9-1-3-10(4-2-9)8-15-12(16)11-5-6-14-11/h1-4,11,14H,5-6,8H2,(H,15,16).
What are the key properties of N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide?
N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide is sourced from PubChem (CID 18670937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).