N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C13H16BrN3O2 — CID 71980567

IUPACN-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ncccc1Br)N1CCCC1=O
InChIInChI=1S/C13H16BrN3O2/c1-2-10(17-8-4-6-11(17)18)13(19)16-12-9(14)5-3-7-15-12/h3,5,7,10H,2,4,6,8H2,1H3,(H,15,16,19)
InChIKeyOBPNYHCOMKWOBT-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.18
Rot. Bonds4

About N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide

N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 71980567) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID71980567
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ncccc1Br)N1CCCC1=O
InChIInChI=1S/C13H16BrN3O2/c1-2-10(17-8-4-6-11(17)18)13(19)16-12-9(14)5-3-7-15-12/h3,5,7,10H,2,4,6,8H2,1H3,(H,15,16,19)
InChIKeyOBPNYHCOMKWOBT-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 71980567) is N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1ncccc1Br)N1CCCC1=O.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is OBPNYHCOMKWOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-2-10(17-8-4-6-11(17)18)13(19)16-12-9(14)5-3-7-15-12/h3,5,7,10H,2,4,6,8H2,1H3,(H,15,16,19).
What are the key properties of N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 326.19 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 71980567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).