3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide

C13H16BrN3O2 — CID 164630367

IUPAC3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1Br)[C@H]1CCNC1=O
InChIInChI=1S/C13H16BrN3O2/c1-3-17(10-6-7-15-12(10)18)13(19)11-9(14)5-4-8(2)16-11/h4-5,10H,3,6-7H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyBYWJLROQUCOZJD-JTQLQIEISA-N
MW326.19 g/mol
LogP1.50
Rot. Bonds3

About 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide

3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 164630367) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID164630367
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1Br)[C@H]1CCNC1=O
InChIInChI=1S/C13H16BrN3O2/c1-3-17(10-6-7-15-12(10)18)13(19)11-9(14)5-4-8(2)16-11/h4-5,10H,3,6-7H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyBYWJLROQUCOZJD-JTQLQIEISA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide (CID 164630367) is 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide is CCN(C(=O)c1nc(C)ccc1Br)[C@H]1CCNC1=O.
What is the InChIKey of 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is BYWJLROQUCOZJD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-3-17(10-6-7-15-12(10)18)13(19)11-9(14)5-4-8(2)16-11/h4-5,10H,3,6-7H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-6-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164630367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).