2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile

C20H17N5O2 — CID 122249016

IUPAC2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2ccc(Cn3ccnc3)cc2)C1
InChIInChI=1S/C20H17N5O2/c21-10-17-2-1-7-23-19(17)27-18-12-25(13-18)20(26)16-5-3-15(4-6-16)11-24-9-8-22-14-24/h1-9,14,18H,11-13H2
InChIKeyWHTIIOAZLUDFFT-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.10
Rot. Bonds5

About 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile

2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249016) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249016
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CN(C(=O)c2ccc(Cn3ccnc3)cc2)C1
InChIInChI=1S/C20H17N5O2/c21-10-17-2-1-7-23-19(17)27-18-12-25(13-18)20(26)16-5-3-15(4-6-16)11-24-9-8-22-14-24/h1-9,14,18H,11-13H2
InChIKeyWHTIIOAZLUDFFT-UHFFFAOYSA-N
XLogP2.10
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249181
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249005
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-[1-(4-methyl-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249126

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249016) is 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CN(C(=O)c2ccc(Cn3ccnc3)cc2)C1.
What is the InChIKey of 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is WHTIIOAZLUDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c21-10-17-2-1-7-23-19(17)27-18-12-25(13-18)20(26)16-5-3-15(4-6-16)11-24-9-8-22-14-24/h1-9,14,18H,11-13H2.
What are the key properties of 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 359.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).