3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide

C16H20N4O2 — CID 122248876

IUPAC3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
SMILESN#Cc1ccc(OC2CN(C(=O)NC3CCCCC3)C2)nc1
InChIInChI=1S/C16H20N4O2/c17-8-12-6-7-15(18-9-12)22-14-10-20(11-14)16(21)19-13-4-2-1-3-5-13/h6-7,9,13-14H,1-5,10-11H2,(H,19,21)
InChIKeyRADKVSFKVPYFSD-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds3

About 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide

3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide (PubChem CID 122248876) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
PubChem CID122248876
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide
SMILESN#Cc1ccc(OC2CN(C(=O)NC3CCCCC3)C2)nc1
InChIInChI=1S/C16H20N4O2/c17-8-12-6-7-15(18-9-12)22-14-10-20(11-14)16(21)19-13-4-2-1-3-5-13/h6-7,9,13-14H,1-5,10-11H2,(H,19,21)
InChIKeyRADKVSFKVPYFSD-UHFFFAOYSA-N
XLogP2.06
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide?
The IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide (CID 122248876) is 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide?
The canonical SMILES for 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide is N#Cc1ccc(OC2CN(C(=O)NC3CCCCC3)C2)nc1.
What is the InChIKey of 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide?
The InChIKey is RADKVSFKVPYFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-8-12-6-7-15(18-9-12)22-14-10-20(11-14)16(21)19-13-4-2-1-3-5-13/h6-7,9,13-14H,1-5,10-11H2,(H,19,21).
What are the key properties of 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide?
3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-2-pyridinyl)oxy]-N-cyclohexylazetidine-1-carboxamide is sourced from PubChem (CID 122248876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).