N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H22BrN3O2 — CID 167976588

IUPACN-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)Nc2ccc(Br)c3ccccc23)CC1=O
InChIInChI=1S/C19H22BrN3O2/c1-22(2)9-10-23-12-13(11-18(23)24)19(25)21-17-8-7-16(20)14-5-3-4-6-15(14)17/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyFUWWSJXKNNVAIN-UHFFFAOYSA-N
MW404.31 g/mol
LogP2.95
Rot. Bonds5

About N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 167976588) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID167976588
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)Nc2ccc(Br)c3ccccc23)CC1=O
InChIInChI=1S/C19H22BrN3O2/c1-22(2)9-10-23-12-13(11-18(23)24)19(25)21-17-8-7-16(20)14-5-3-4-6-15(14)17/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyFUWWSJXKNNVAIN-UHFFFAOYSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120604067
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
N-(5-amino-2-methylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120568684
N-(2-acetylphenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800377
1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 72913353
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 167906316
N-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119515789
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
methyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxybenzoate
CID 108800381

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 167976588) is N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)Nc2ccc(Br)c3ccccc23)CC1=O.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FUWWSJXKNNVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-22(2)9-10-23-12-13(11-18(23)24)19(25)21-17-8-7-16(20)14-5-3-4-6-15(14)17/h3-8,13H,9-12H2,1-2H3,(H,21,25).
What are the key properties of N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167976588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).