2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C20H21N3O4 — CID 122249102

IUPAC2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCOc1ccc(C(=O)N2CC(Oc3ncccc3C#N)C2)cc1OCC
InChIInChI=1S/C20H21N3O4/c1-3-25-17-8-7-14(10-18(17)26-4-2)20(24)23-12-16(13-23)27-19-15(11-21)6-5-9-22-19/h5-10,16H,3-4,12-13H2,1-2H3
InChIKeyKISZUPHXVBPKSB-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.65
Rot. Bonds7

About 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile

2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249102) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249102
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCCOc1ccc(C(=O)N2CC(Oc3ncccc3C#N)C2)cc1OCC
InChIInChI=1S/C20H21N3O4/c1-3-25-17-8-7-14(10-18(17)26-4-2)20(24)23-12-16(13-23)27-19-15(11-21)6-5-9-22-19/h5-10,16H,3-4,12-13H2,1-2H3
InChIKeyKISZUPHXVBPKSB-UHFFFAOYSA-N
XLogP2.65
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
2-[1-(4-methyl-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249126
2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249005
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249097
2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249016

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249102) is 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is CCOc1ccc(C(=O)N2CC(Oc3ncccc3C#N)C2)cc1OCC.
What is the InChIKey of 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is KISZUPHXVBPKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-25-17-8-7-14(10-18(17)26-4-2)20(24)23-12-16(13-23)27-19-15(11-21)6-5-9-22-19/h5-10,16H,3-4,12-13H2,1-2H3.
What are the key properties of 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 367.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).