(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C16H13Br2N3O2 — CID 52636988

IUPAC(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H13Br2N3O2/c17-11-2-1-3-13(7-11)21-9-10(6-15(21)22)16(23)20-14-5-4-12(18)8-19-14/h1-5,7-8,10H,6,9H2,(H,19,20,23)/t10-/m0/s1
InChIKeyYPJSTGQKKPPJDT-JTQLQIEISA-N
MW439.11 g/mol
LogP3.60
Rot. Bonds3

About (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52636988) has the molecular formula C16H13Br2N3O2 and a molecular weight of 439.11 g/mol. Its IUPAC name is (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52636988
Molecular FormulaC16H13Br2N3O2
Molecular Weight439.11 g/mol
Exact Mass436.94
IUPAC Name(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H13Br2N3O2/c17-11-2-1-3-13(7-11)21-9-10(6-15(21)22)16(23)20-14-5-4-12(18)8-19-14/h1-5,7-8,10H,6,9H2,(H,19,20,23)/t10-/m0/s1
InChIKeyYPJSTGQKKPPJDT-JTQLQIEISA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.11
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90603521
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
1-(3-bromophenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 42953340
1-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952985
1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700448
1-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700111

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 52636988) is (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YPJSTGQKKPPJDT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13Br2N3O2/c17-11-2-1-3-13(7-11)21-9-10(6-15(21)22)16(23)20-14-5-4-12(18)8-19-14/h1-5,7-8,10H,6,9H2,(H,19,20,23)/t10-/m0/s1.
What are the key properties of (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 439.11 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52636988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).