N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide

C9H13BrN4O — CID 130934533

IUPACN-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN4O/c1-14(2)4-3-9(15)13-8-6-11-7(10)5-12-8/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKeySPURNUNRHJNLAN-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.13
Rot. Bonds4

About N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide

N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide (PubChem CID 130934533) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide
PubChem CID130934533
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC NameN-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN4O/c1-14(2)4-3-9(15)13-8-6-11-7(10)5-12-8/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKeySPURNUNRHJNLAN-UHFFFAOYSA-N
XLogP1.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(5-bromopyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602860
N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475756
N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide
CID 103513843
N-(4-amino-2-pyridinyl)-3-(dimethylamino)propanamide
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N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
N-(5-bromopyrazin-2-yl)-2-(thian-4-yl)acetamide
CID 80709427
N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide
CID 79026184
N-(5-bromopyrazin-2-yl)-5-methylpyrazine-2-carboxamide
CID 115650022
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
N-(5-bromopyrazin-2-yl)-5-(ethylamino)pyridine-2-carboxamide
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CID 114292383

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide (CID 130934533) is N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1cnc(Br)cn1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide?
The InChIKey is SPURNUNRHJNLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-14(2)4-3-9(15)13-8-6-11-7(10)5-12-8/h5-6H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide?
N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide has a molecular weight of 273.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide is sourced from PubChem (CID 130934533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).