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

C22H26N4O3 — CID 123514893

IUPACN-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1ccc(N2CC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c(C#N)n1
InChIInChI=1S/C22H26N4O3/c1-4-11-28-22-10-9-21(20(12-23)25-22)26-13-19(14-26)29-18-7-5-17(6-8-18)15(2)24-16(3)27/h5-10,15,19H,4,11,13-14H2,1-3H3,(H,24,27)
InChIKeyQQLFYSKKSGHDHO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.21
Rot. Bonds8

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

N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123514893) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123514893
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCCOc1ccc(N2CC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c(C#N)n1
InChIInChI=1S/C22H26N4O3/c1-4-11-28-22-10-9-21(20(12-23)25-22)26-13-19(14-26)29-18-7-5-17(6-8-18)15(2)24-16(3)27/h5-10,15,19H,4,11,13-14H2,1-3H3,(H,24,27)
InChIKeyQQLFYSKKSGHDHO-UHFFFAOYSA-N
XLogP3.21
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[4-[(2R)-4-oxopentan-2-yl]phenoxy]pyrrolidin-1-yl]-6-propoxypyridine-2-carbonitrile
CID 161374342
N-[1-[4-[1-(2-chloro-4-propoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123536154
N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123780039
N-[(1S)-1-[4-[1-(2-chloro-4-propoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473329
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123428625
N-[(1S)-1-[4-[1-(2-cyano-4-cyclopropyloxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473404
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
ethyl 2-[3-[4-(1-acetamidoethyl)phenoxy]azetidin-1-yl]pyrimidine-5-carboxylate
CID 123136125
N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123315085
N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine
CID 121286629
N-[1-[4-[1-(4-ethoxy-2-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123373730

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123514893) is N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is CCCOc1ccc(N2CC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c(C#N)n1.
What is the InChIKey of N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is QQLFYSKKSGHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-11-28-22-10-9-21(20(12-23)25-22)26-13-19(14-26)29-18-7-5-17(6-8-18)15(2)24-16(3)27/h5-10,15,19H,4,11,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123514893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).