N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide

C17H19N3O4 — CID 122247300

IUPACN-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(Oc3ccccn3)C2)c(OC)c1
InChIInChI=1S/C17H19N3O4/c1-22-12-6-7-14(15(9-12)23-2)19-17(21)20-10-13(11-20)24-16-5-3-4-8-18-16/h3-9,13H,10-11H2,1-2H3,(H,19,21)
InChIKeyCQMZGVMPWUCHBX-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.39
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide

N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide (PubChem CID 122247300) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
PubChem CID122247300
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(Oc3ccccn3)C2)c(OC)c1
InChIInChI=1S/C17H19N3O4/c1-22-12-6-7-14(15(9-12)23-2)19-17(21)20-10-13(11-20)24-16-5-3-4-8-18-16/h3-9,13H,10-11H2,1-2H3,(H,19,21)
InChIKeyCQMZGVMPWUCHBX-UHFFFAOYSA-N
XLogP2.39
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195642
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913977
N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
N-(2-methoxyphenyl)-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627691
(3R)-N-(2-chlorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129417495
N-(2,4-dimethoxyphenyl)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 90732886
1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247205
(3,5-dimethoxyphenyl)-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417295

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide (CID 122247300) is N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide is COc1ccc(NC(=O)N2CC(Oc3ccccn3)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide?
The InChIKey is CQMZGVMPWUCHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-22-12-6-7-14(15(9-12)23-2)19-17(21)20-10-13(11-20)24-16-5-3-4-8-18-16/h3-9,13H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 122247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).