N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide

C18H16N4O3 — CID 122252200

IUPACN-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
SMILESN#Cc1ccnc(OC2CN(C(=O)CNC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H16N4O3/c19-9-13-6-7-20-16(8-13)25-15-11-22(12-15)17(23)10-21-18(24)14-4-2-1-3-5-14/h1-8,15H,10-12H2,(H,21,24)
InChIKeyYILYDJWJBZUSTA-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.97
Rot. Bonds5

About N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide

N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 122252200) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
PubChem CID122252200
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
SMILESN#Cc1ccnc(OC2CN(C(=O)CNC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H16N4O3/c19-9-13-6-7-20-16(8-13)25-15-11-22(12-15)17(23)10-21-18(24)14-4-2-1-3-5-14/h1-8,15H,10-12H2,(H,21,24)
InChIKeyYILYDJWJBZUSTA-UHFFFAOYSA-N
XLogP0.97
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252488
2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252365
2-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252345
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252535
3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
CID 122252570
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252500
2-[1-(morpholine-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252598

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide (CID 122252200) is N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide is N#Cc1ccnc(OC2CN(C(=O)CNC(=O)c3ccccc3)C2)c1.
What is the InChIKey of N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is YILYDJWJBZUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-9-13-6-7-20-16(8-13)25-15-11-22(12-15)17(23)10-21-18(24)14-4-2-1-3-5-14/h1-8,15H,10-12H2,(H,21,24).
What are the key properties of N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 336.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 122252200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).