3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide

C17H13Br2N5O — CID 166162279

IUPAC3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Br)cc(Br)c1)c1nccnc1-c1cnccn1
InChIInChI=1S/C17H13Br2N5O/c1-10(24-17(25)11-6-12(18)8-13(19)7-11)15-16(23-5-4-22-15)14-9-20-2-3-21-14/h2-10H,1H3,(H,24,25)/t10-/m0/s1
InChIKeyBAFWKVBTCISSCB-JTQLQIEISA-N
MW463.13 g/mol
LogP3.95
Rot. Bonds4

About 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide

3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide (PubChem CID 166162279) has the molecular formula C17H13Br2N5O and a molecular weight of 463.13 g/mol. Its IUPAC name is 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide
PubChem CID166162279
Molecular FormulaC17H13Br2N5O
Molecular Weight463.13 g/mol
Exact Mass460.95
IUPAC Name3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Br)cc(Br)c1)c1nccnc1-c1cnccn1
InChIInChI=1S/C17H13Br2N5O/c1-10(24-17(25)11-6-12(18)8-13(19)7-11)15-16(23-5-4-22-15)14-9-20-2-3-21-14/h2-10H,1H3,(H,24,25)/t10-/m0/s1
InChIKeyBAFWKVBTCISSCB-JTQLQIEISA-N
XLogP3.95
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.13
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dibromo-N-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]benzamide
CID 162524156
N-[1-[3-(5-bromo-2-pyridinyl)pyrazin-2-yl]ethyl]-3-[cyclopropyl(difluoro)methyl]-5-(trifluoromethyl)benzamide
CID 155167125
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
N-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]-3-iodo-5-(trifluoromethyl)benzamide
CID 167224206
N-[1-[3-(5-bromopyrimidin-2-yl)pyrazin-2-yl]ethyl]-3-(2-cyanopropan-2-yl)-5-(trifluoromethyl)benzamide
CID 164779152
3-chloro-N-[(1R)-1-(3-pyridin-2-ylpyrazin-2-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 175763170
N-[(1S)-1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 155205059
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
N-[1-[3-(5-cyanopyrazin-2-yl)pyrazin-2-yl]ethyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 166162276
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 171813894

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide (CID 166162279) is 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide is C[C@H](NC(=O)c1cc(Br)cc(Br)c1)c1nccnc1-c1cnccn1.
What is the InChIKey of 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide?
The InChIKey is BAFWKVBTCISSCB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13Br2N5O/c1-10(24-17(25)11-6-12(18)8-13(19)7-11)15-16(23-5-4-22-15)14-9-20-2-3-21-14/h2-10H,1H3,(H,24,25)/t10-/m0/s1.
What are the key properties of 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide?
3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide has a molecular weight of 463.13 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(1S)-1-(3-pyrazin-2-ylpyrazin-2-yl)ethyl]benzamide is sourced from PubChem (CID 166162279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).