N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

C19H19BrN4O2 — CID 123780039

IUPACN-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc(Br)c(C#N)n3)C2)cc1
InChIInChI=1S/C19H19BrN4O2/c1-12(22-13(2)25)14-3-5-15(6-4-14)26-16-10-24(11-16)19-8-7-17(20)18(9-21)23-19/h3-8,12,16H,10-11H2,1-2H3,(H,22,25)
InChIKeyWRTASYJUVBGKKL-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.18
Rot. Bonds5

About N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123780039) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123780039
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC NameN-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc(Br)c(C#N)n3)C2)cc1
InChIInChI=1S/C19H19BrN4O2/c1-12(22-13(2)25)14-3-5-15(6-4-14)26-16-10-24(11-16)19-8-7-17(20)18(9-21)23-19/h3-8,12,16H,10-11H2,1-2H3,(H,22,25)
InChIKeyWRTASYJUVBGKKL-UHFFFAOYSA-N
XLogP3.18
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123428625
N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123774969
N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123514893
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 163762683
N-[(1S)-1-[4-[1-(2-cyano-4-cyclopropyloxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473404
N-[(1S)-1-[4-[(3R)-1-(6-ethyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315547
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
N-[(1S)-1-[4-[(3R)-1-(6-cyclopentyl-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315370
N-[(1S)-1-[4-[1-[5-(2-methylpropoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668589
N-[(1S)-1-[4-[(3R)-1-[2-[2-cyanoethyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91825104
N-[(1S)-1-[4-[(3R)-1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91824921

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123780039) is N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OC2CN(c3ccc(Br)c(C#N)n3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is WRTASYJUVBGKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-12(22-13(2)25)14-3-5-15(6-4-14)26-16-10-24(11-16)19-8-7-17(20)18(9-21)23-19/h3-8,12,16H,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 415.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123780039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).