3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide

C19H20N4O4 — CID 122249300

IUPAC3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ncccc3C#N)C2)cc1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-6-5-13(8-17(16)26-2)10-22-19(24)23-11-15(12-23)27-18-14(9-20)4-3-7-21-18/h3-8,15H,10-12H2,1-2H3,(H,22,24)
InChIKeyAGAJHRITKQXRGJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.94
Rot. Bonds6

About 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide

3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide (PubChem CID 122249300) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
PubChem CID122249300
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ncccc3C#N)C2)cc1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-6-5-13(8-17(16)26-2)10-22-19(24)23-11-15(12-23)27-18-14(9-20)4-3-7-21-18/h3-8,15H,10-12H2,1-2H3,(H,22,24)
InChIKeyAGAJHRITKQXRGJ-UHFFFAOYSA-N
XLogP1.94
TPSA96.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122252572
3-[(3-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122249293
2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249097
3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122250099
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080
3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 122249306

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide (CID 122249300) is 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide is COc1ccc(CNC(=O)N2CC(Oc3ncccc3C#N)C2)cc1OC.
What is the InChIKey of 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
The InChIKey is AGAJHRITKQXRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-16-6-5-13(8-17(16)26-2)10-22-19(24)23-11-15(12-23)27-18-14(9-20)4-3-7-21-18/h3-8,15H,10-12H2,1-2H3,(H,22,24).
What are the key properties of 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 122249300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).