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

C17H16BrN3O2 — CID 39340628

IUPAC(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C17H16BrN3O2/c1-11-5-4-8-19-16(11)20-17(23)12-9-15(22)21(10-12)14-7-3-2-6-13(14)18/h2-8,12H,9-10H2,1H3,(H,19,20,23)/t12-/m0/s1
InChIKeyMBHDKICMRKPVTJ-LBPRGKRZSA-N
MW374.24 g/mol
LogP3.14
Rot. Bonds3

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

(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39340628) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39340628
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C17H16BrN3O2/c1-11-5-4-8-19-16(11)20-17(23)12-9-15(22)21(10-12)14-7-3-2-6-13(14)18/h2-8,12H,9-10H2,1H3,(H,19,20,23)/t12-/m0/s1
InChIKeyMBHDKICMRKPVTJ-LBPRGKRZSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-bromo-3-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25348649
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088260
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262
(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2293930
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
1-[(2-chlorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 45492463
(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51729548
1-(2-bromophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46485875

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 39340628) is (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MBHDKICMRKPVTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11-5-4-8-19-16(11)20-17(23)12-9-15(22)21(10-12)14-7-3-2-6-13(14)18/h2-8,12H,9-10H2,1H3,(H,19,20,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39340628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).