N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

C21H27N3O2 — CID 123428625

IUPACN-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc(C(C)C)cn3)C2)cc1
InChIInChI=1S/C21H27N3O2/c1-14(2)18-7-10-21(22-11-18)24-12-20(13-24)26-19-8-5-17(6-9-19)15(3)23-16(4)25/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25)
InChIKeyRQMBYNLMFIOWBV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.67
Rot. Bonds6

About N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123428625) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123428625
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc(C(C)C)cn3)C2)cc1
InChIInChI=1S/C21H27N3O2/c1-14(2)18-7-10-21(22-11-18)24-12-20(13-24)26-19-8-5-17(6-9-19)15(3)23-16(4)25/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25)
InChIKeyRQMBYNLMFIOWBV-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[4-[1-[5-(2-methylpropoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668589
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[(1S)-1-[4-[1-[5-(2-cyclopropylethoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668612
N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123774969
N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123780039
N-[(1S)-1-[4-[1-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668610
N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine
CID 121286629
N-[(1S)-1-[4-[(3R)-1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91824921
ethyl 2-[3-[4-(1-acetamidoethyl)phenoxy]azetidin-1-yl]pyrimidine-5-carboxylate
CID 123136125
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 163762683
5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine
CID 90991499

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123428625) is N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OC2CN(c3ccc(C(C)C)cn3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is RQMBYNLMFIOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)18-7-10-21(22-11-18)24-12-20(13-24)26-19-8-5-17(6-9-19)15(3)23-16(4)25/h5-11,14-15,20H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123428625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).