N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C18H20N4O3 — CID 90513961

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CN(C(=O)c3cnccn3)C2)cc1
InChIInChI=1S/C18H20N4O3/c1-25-15-4-2-13(3-5-15)6-7-21-17(23)14-11-22(12-14)18(24)16-10-19-8-9-20-16/h2-5,8-10,14H,6-7,11-12H2,1H3,(H,21,23)
InChIKeyNKKRYERVAFNUAV-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.92
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90513961) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID90513961
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CN(C(=O)c3cnccn3)C2)cc1
InChIInChI=1S/C18H20N4O3/c1-25-15-4-2-13(3-5-15)6-7-21-17(23)14-11-22(12-14)18(24)16-10-19-8-9-20-16/h2-5,8-10,14H,6-7,11-12H2,1H3,(H,21,23)
InChIKeyNKKRYERVAFNUAV-UHFFFAOYSA-N
XLogP0.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90510918
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510936
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785197

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 90513961) is N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is COc1ccc(CCNC(=O)C2CN(C(=O)c3cnccn3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is NKKRYERVAFNUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-15-4-2-13(3-5-15)6-7-21-17(23)14-11-22(12-14)18(24)16-10-19-8-9-20-16/h2-5,8-10,14H,6-7,11-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).