N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide

C13H16BrN3O2 — CID 71985292

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1nc(NC(=O)CCN2CCCC2=O)ccc1Br
InChIInChI=1S/C13H16BrN3O2/c1-9-10(14)4-5-11(15-9)16-12(18)6-8-17-7-2-3-13(17)19/h4-5H,2-3,6-8H2,1H3,(H,15,16,18)
InChIKeyKBQRVVKAVUEFRH-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.10
Rot. Bonds4

About N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 71985292) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID71985292
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1nc(NC(=O)CCN2CCCC2=O)ccc1Br
InChIInChI=1S/C13H16BrN3O2/c1-9-10(14)4-5-11(15-9)16-12(18)6-8-17-7-2-3-13(17)19/h4-5H,2-3,6-8H2,1H3,(H,15,16,18)
InChIKeyKBQRVVKAVUEFRH-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide (CID 71985292) is N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide is Cc1nc(NC(=O)CCN2CCCC2=O)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is KBQRVVKAVUEFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-9-10(14)4-5-11(15-9)16-12(18)6-8-17-7-2-3-13(17)19/h4-5H,2-3,6-8H2,1H3,(H,15,16,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 326.19 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 71985292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).