5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide

C16H14BrN3O2 — CID 1251773

IUPAC5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1cncc(Br)c1
InChIInChI=1S/C16H14BrN3O2/c17-12-8-11(9-18-10-12)16(22)19-13-3-5-14(6-4-13)20-7-1-2-15(20)21/h3-6,8-10H,1-2,7H2,(H,19,22)
InChIKeyYWHUJEXFSHHCDD-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 1251773) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID1251773
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1cncc(Br)c1
InChIInChI=1S/C16H14BrN3O2/c17-12-8-11(9-18-10-12)16(22)19-13-3-5-14(6-4-13)20-7-1-2-15(20)21/h3-6,8-10H,1-2,7H2,(H,19,22)
InChIKeyYWHUJEXFSHHCDD-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide (CID 1251773) is 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is YWHUJEXFSHHCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c17-12-8-11(9-18-10-12)16(22)19-13-3-5-14(6-4-13)20-7-1-2-15(20)21/h3-6,8-10H,1-2,7H2,(H,19,22).
What are the key properties of 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1251773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).