1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C11H13BrN4O2 — CID 168696869

IUPAC1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(N)c(N2CC(C(N)=O)CC2=O)cc1Br
InChIInChI=1S/C11H13BrN4O2/c1-5-7(12)3-8(10(13)15-5)16-4-6(11(14)18)2-9(16)17/h3,6H,2,4H2,1H3,(H2,13,15)(H2,14,18)
InChIKeyBTULBTPRQCAWNW-UHFFFAOYSA-N
MW313.16 g/mol
LogP0.57
Rot. Bonds2

About 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696869) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696869
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(N)c(N2CC(C(N)=O)CC2=O)cc1Br
InChIInChI=1S/C11H13BrN4O2/c1-5-7(12)3-8(10(13)15-5)16-4-6(11(14)18)2-9(16)17/h3,6H,2,4H2,1H3,(H2,13,15)(H2,14,18)
InChIKeyBTULBTPRQCAWNW-UHFFFAOYSA-N
XLogP0.57
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696971
1-(2-amino-5-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696923
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696945
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696507
1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696281
1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696812
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-(6-methylpyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697041

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168696869) is 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1nc(N)c(N2CC(C(N)=O)CC2=O)cc1Br.
What is the InChIKey of 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BTULBTPRQCAWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-5-7(12)3-8(10(13)15-5)16-4-6(11(14)18)2-9(16)17/h3,6H,2,4H2,1H3,(H2,13,15)(H2,14,18).
What are the key properties of 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).