1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide

C19H22N4O5 — CID 90510918

IUPAC1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2CN(C(=O)c3cnccn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O5/c1-26-15-6-12(7-16(27-2)17(15)28-3)8-22-18(24)13-10-23(11-13)19(25)14-9-20-4-5-21-14/h4-7,9,13H,8,10-11H2,1-3H3,(H,22,24)
InChIKeyZAUKYBQIWZVDMZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.89
Rot. Bonds7

About 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide

1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide (PubChem CID 90510918) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
PubChem CID90510918
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2CN(C(=O)c3cnccn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O5/c1-26-15-6-12(7-16(27-2)17(15)28-3)8-22-18(24)13-10-23(11-13)19(25)14-9-20-4-5-21-14/h4-7,9,13H,8,10-11H2,1-3H3,(H,22,24)
InChIKeyZAUKYBQIWZVDMZ-UHFFFAOYSA-N
XLogP0.89
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23609091
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513961
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90511251
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785197
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666
(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 99970361
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510936
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide (CID 90510918) is 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide is COc1cc(CNC(=O)C2CN(C(=O)c3cnccn3)C2)cc(OC)c1OC.
What is the InChIKey of 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is ZAUKYBQIWZVDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-26-15-6-12(7-16(27-2)17(15)28-3)8-22-18(24)13-10-23(11-13)19(25)14-9-20-4-5-21-14/h4-7,9,13H,8,10-11H2,1-3H3,(H,22,24).
What are the key properties of 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 90510918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).