N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C17H17N5O3 — CID 90510936

IUPACN-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)cc1
InChIInChI=1S/C17H17N5O3/c1-11(23)20-13-2-4-14(5-3-13)21-16(24)12-9-22(10-12)17(25)15-8-18-6-7-19-15/h2-8,12H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyZURSRQPWYZKAEJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.15
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90510936) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID90510936
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)cc1
InChIInChI=1S/C17H17N5O3/c1-11(23)20-13-2-4-14(5-3-13)21-16(24)12-9-22(10-12)17(25)15-8-18-6-7-19-15/h2-8,12H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyZURSRQPWYZKAEJ-UHFFFAOYSA-N
XLogP1.15
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513988
N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510914
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785188
N-[4-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108566860
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513961
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785197
N-(6-phenoxy-3-pyridinyl)-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 72851940
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 90510936) is N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CN(C(=O)c3cnccn3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is ZURSRQPWYZKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11(23)20-13-2-4-14(5-3-13)21-16(24)12-9-22(10-12)17(25)15-8-18-6-7-19-15/h2-8,12H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90510936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).