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

C19H20N4O4 — CID 122252572

IUPAC3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-4-3-14(7-17(16)26-2)10-22-19(24)23-11-15(12-23)27-18-8-13(9-20)5-6-21-18/h3-8,15H,10-12H2,1-2H3,(H,22,24)
InChIKeyAPSYGHUMAYXLCO-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.94
Rot. Bonds6

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

3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide (PubChem CID 122252572) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
PubChem CID122252572
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-4-3-14(7-17(16)26-2)10-22-19(24)23-11-15(12-23)27-18-8-13(9-20)5-6-21-18/h3-8,15H,10-12H2,1-2H3,(H,22,24)
InChIKeyAPSYGHUMAYXLCO-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

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

3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122249300
3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
CID 122252570
2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122252547
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122252200
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide (CID 122252572) is 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide is COc1ccc(CNC(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1OC.
What is the InChIKey of 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
The InChIKey is APSYGHUMAYXLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-16-4-3-14(7-17(16)26-2)10-22-19(24)23-11-15(12-23)27-18-8-13(9-20)5-6-21-18/h3-8,15H,10-12H2,1-2H3,(H,22,24).
What are the key properties of 3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide?
3-[(4-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-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 122252572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).