5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide

C13H16BrN3O2 — CID 47468363

IUPAC5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(Br)c1)C(=O)N1CCCC1
InChIInChI=1S/C13H16BrN3O2/c1-9(13(19)17-4-2-3-5-17)16-12(18)10-6-11(14)8-15-7-10/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyYWDWWRDSVXQVTN-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.58
Rot. Bonds3

About 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide

5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 47468363) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID47468363
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(Br)c1)C(=O)N1CCCC1
InChIInChI=1S/C13H16BrN3O2/c1-9(13(19)17-4-2-3-5-17)16-12(18)10-6-11(14)8-15-7-10/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyYWDWWRDSVXQVTN-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104797141
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide (CID 47468363) is 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide is CC(NC(=O)c1cncc(Br)c1)C(=O)N1CCCC1.
What is the InChIKey of 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is YWDWWRDSVXQVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-9(13(19)17-4-2-3-5-17)16-12(18)10-6-11(14)8-15-7-10/h6-9H,2-5H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 47468363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).