1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide

C9H10BrN5O2 — CID 168698071

IUPAC1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncc(Br)nc2N)C1
InChIInChI=1S/C9H10BrN5O2/c10-5-2-13-9(7(11)14-5)15-3-4(8(12)17)1-6(15)16/h2,4H,1,3H2,(H2,11,14)(H2,12,17)
InChIKeyVUNGGAZLOXCOFD-UHFFFAOYSA-N
MW300.12 g/mol
LogP-0.34
Rot. Bonds2

About 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698071) has the molecular formula C9H10BrN5O2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698071
Molecular FormulaC9H10BrN5O2
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncc(Br)nc2N)C1
InChIInChI=1S/C9H10BrN5O2/c10-5-2-13-9(7(11)14-5)15-3-4(8(12)17)1-6(15)16/h2,4H,1,3H2,(H2,11,14)(H2,12,17)
InChIKeyVUNGGAZLOXCOFD-UHFFFAOYSA-N
XLogP-0.34
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696869
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698278

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 168698071) is 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ncc(Br)nc2N)C1.
What is the InChIKey of 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VUNGGAZLOXCOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2/c10-5-2-13-9(7(11)14-5)15-3-4(8(12)17)1-6(15)16/h2,4H,1,3H2,(H2,11,14)(H2,12,17).
What are the key properties of 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 300.12 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).