N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C15H13BrN4O2 — CID 90513988

IUPACN-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H13BrN4O2/c16-11-2-1-3-12(6-11)19-14(21)10-8-20(9-10)15(22)13-7-17-4-5-18-13/h1-7,10H,8-9H2,(H,19,21)
InChIKeyTWULCJVSLJZONE-UHFFFAOYSA-N
MW361.20 g/mol
LogP1.95
Rot. Bonds3

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

N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90513988) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID90513988
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC NameN-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C15H13BrN4O2/c16-11-2-1-3-12(6-11)19-14(21)10-8-20(9-10)15(22)13-7-17-4-5-18-13/h1-7,10H,8-9H2,(H,19,21)
InChIKeyTWULCJVSLJZONE-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510914
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510936
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785188
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
3-[(3-bromophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126697825
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
CID 109140751
(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 42461345
[2-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298556

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 90513988) is N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is O=C(Nc1cccc(Br)c1)C1CN(C(=O)c2cnccn2)C1.
What is the InChIKey of N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is TWULCJVSLJZONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c16-11-2-1-3-12(6-11)19-14(21)10-8-20(9-10)15(22)13-7-17-4-5-18-13/h1-7,10H,8-9H2,(H,19,21).
What are the key properties of N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).