5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

C10H10BrN3O2 — CID 95984966

IUPAC5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C1C[C@@H](NC(=O)c2cncc(Br)c2)CN1
InChIInChI=1S/C10H10BrN3O2/c11-7-1-6(3-12-4-7)10(16)14-8-2-9(15)13-5-8/h1,3-4,8H,2,5H2,(H,13,15)(H,14,16)/t8-/m1/s1
InChIKeyPJACBIJJEQYMHG-MRVPVSSYSA-N
MW284.11 g/mol
LogP0.46
Rot. Bonds2

About 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 95984966) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID95984966
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C1C[C@@H](NC(=O)c2cncc(Br)c2)CN1
InChIInChI=1S/C10H10BrN3O2/c11-7-1-6(3-12-4-7)10(16)14-8-2-9(15)13-5-8/h1,3-4,8H,2,5H2,(H,13,15)(H,14,16)/t8-/m1/s1
InChIKeyPJACBIJJEQYMHG-MRVPVSSYSA-N
XLogP0.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018
5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 103951497
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
6-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 113429241
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 103954038
N-(5-oxopyrrolidin-3-yl)-1H-indazole-6-carboxamide
CID 114156980
2-amino-6-methyl-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197815
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 95984966) is 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is O=C1C[C@@H](NC(=O)c2cncc(Br)c2)CN1.
What is the InChIKey of 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is PJACBIJJEQYMHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-7-1-6(3-12-4-7)10(16)14-8-2-9(15)13-5-8/h1,3-4,8H,2,5H2,(H,13,15)(H,14,16)/t8-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 284.11 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95984966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).