(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide

C18H18BrN3O2 — CID 39562299

IUPAC(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C18H18BrN3O2/c19-15-5-1-2-6-16(15)22-12-14(10-17(22)23)18(24)21-9-7-13-4-3-8-20-11-13/h1-6,8,11,14H,7,9-10,12H2,(H,21,24)/t14-/m1/s1
InChIKeyXDKOFMDPFTZVPP-CQSZACIVSA-N
MW388.27 g/mol
LogP2.56
Rot. Bonds5

About (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide

(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 39562299) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
PubChem CID39562299
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C18H18BrN3O2/c19-15-5-1-2-6-16(15)22-12-14(10-17(22)23)18(24)21-9-7-13-4-3-8-20-11-13/h1-6,8,11,14H,7,9-10,12H2,(H,21,24)/t14-/m1/s1
InChIKeyXDKOFMDPFTZVPP-CQSZACIVSA-N
XLogP2.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 55554296
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
5-oxo-N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188552
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742
1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119445531
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
CID 42952999
1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 43066133
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide (CID 39562299) is (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is XDKOFMDPFTZVPP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-15-5-1-2-6-16(15)22-12-14(10-17(22)23)18(24)21-9-7-13-4-3-8-20-11-13/h1-6,8,11,14H,7,9-10,12H2,(H,21,24)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide?
(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 39562299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).