6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide

C14H14BrN5O2 — CID 133352510

IUPAC6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)c1cncc(C(N)=O)n1
InChIInChI=1S/C14H14BrN5O2/c1-20(12-7-17-6-11(18-12)14(16)22)8-13(21)19-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H2,16,22)(H,19,21)
InChIKeyFDZPKRSPDPXHIH-UHFFFAOYSA-N
MW364.20 g/mol
LogP1.41
Rot. Bonds5

About 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide

6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide (PubChem CID 133352510) has the molecular formula C14H14BrN5O2 and a molecular weight of 364.20 g/mol. Its IUPAC name is 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide
PubChem CID133352510
Molecular FormulaC14H14BrN5O2
Molecular Weight364.20 g/mol
Exact Mass363.03
IUPAC Name6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)c1cncc(C(N)=O)n1
InChIInChI=1S/C14H14BrN5O2/c1-20(12-7-17-6-11(18-12)14(16)22)8-13(21)19-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H2,16,22)(H,19,21)
InChIKeyFDZPKRSPDPXHIH-UHFFFAOYSA-N
XLogP1.41
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 99806560
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide
CID 133352514
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(2-bromophenyl)acetamide
CID 54991682
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-(2-bromophenyl)-2-[methyl-(5-nitropyrimidin-2-yl)amino]acetamide
CID 133467146
N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 133467116
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide (CID 133352510) is 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide is CN(CC(=O)Nc1ccccc1Br)c1cncc(C(N)=O)n1.
What is the InChIKey of 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide?
The InChIKey is FDZPKRSPDPXHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O2/c1-20(12-7-17-6-11(18-12)14(16)22)8-13(21)19-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H2,16,22)(H,19,21).
What are the key properties of 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide?
6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide has a molecular weight of 364.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133352510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).