1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

C16H14BrN3O2 — CID 42656080

IUPAC1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrN3O2/c17-12-3-5-14(6-4-12)20-10-11(8-15(20)21)16(22)19-13-2-1-7-18-9-13/h1-7,9,11H,8,10H2,(H,19,22)
InChIKeyAEWSIIVSGAEDKJ-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 42656080) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID42656080
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrN3O2/c17-12-3-5-14(6-4-12)20-10-11(8-15(20)21)16(22)19-13-2-1-7-18-9-13/h1-7,9,11H,8,10H2,(H,19,22)
InChIKeyAEWSIIVSGAEDKJ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 2526301
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118634
1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52995994
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1286829
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
1-(4-bromophenyl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 42942337
(3R)-1-(4-bromophenyl)-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102934
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
(3R)-1-(4-bromophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1109938

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 42656080) is 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is O=C(Nc1cccnc1)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is AEWSIIVSGAEDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c17-12-3-5-14(6-4-12)20-10-11(8-15(20)21)16(22)19-13-2-1-7-18-9-13/h1-7,9,11H,8,10H2,(H,19,22).
What are the key properties of 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42656080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).