2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide

C10H11BrN4O2 — CID 114157018

IUPAC2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H11BrN4O2/c11-5-1-7(9(12)14-3-5)10(17)15-6-2-8(16)13-4-6/h1,3,6H,2,4H2,(H2,12,14)(H,13,16)(H,15,17)
InChIKeySWIRPQQFEGLQOS-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.04
Rot. Bonds2

About 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide

2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 114157018) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID114157018
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H11BrN4O2/c11-5-1-7(9(12)14-3-5)10(17)15-6-2-8(16)13-4-6/h1,3,6H,2,4H2,(H2,12,14)(H,13,16)(H,15,17)
InChIKeySWIRPQQFEGLQOS-UHFFFAOYSA-N
XLogP0.04
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide (CID 114157018) is 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is SWIRPQQFEGLQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c11-5-1-7(9(12)14-3-5)10(17)15-6-2-8(16)13-4-6/h1,3,6H,2,4H2,(H2,12,14)(H,13,16)(H,15,17).
What are the key properties of 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114157018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).