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

C13H15N3O — CID 145433441

IUPACN-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
SMILESN#Cc1ccc(CCNC(=O)C2CCN2)cc1
InChIInChI=1S/C13H15N3O/c14-9-11-3-1-10(2-4-11)5-7-16-13(17)12-6-8-15-12/h1-4,12,15H,5-8H2,(H,16,17)
InChIKeyRYZIVJKTEIMPGY-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.58
Rot. Bonds4

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

N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide (PubChem CID 145433441) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
PubChem CID145433441
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
SMILESN#Cc1ccc(CCNC(=O)C2CCN2)cc1
InChIInChI=1S/C13H15N3O/c14-9-11-3-1-10(2-4-11)5-7-16-13(17)12-6-8-15-12/h1-4,12,15H,5-8H2,(H,16,17)
InChIKeyRYZIVJKTEIMPGY-UHFFFAOYSA-N
XLogP0.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
CID 158144614
3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 175163144
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
4-N-(4-cyanophenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149126
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887
3-[2-(4-cyanophenyl)ethylamino]-3-oxopropanoic acid
CID 19926322

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide?
The IUPAC name of N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide (CID 145433441) is N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide?
The canonical SMILES for N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide is N#Cc1ccc(CCNC(=O)C2CCN2)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide?
The InChIKey is RYZIVJKTEIMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-9-11-3-1-10(2-4-11)5-7-16-13(17)12-6-8-15-12/h1-4,12,15H,5-8H2,(H,16,17).
What are the key properties of N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide?
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide is sourced from PubChem (CID 145433441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).