1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H20BrN3O2 — CID 42953091

IUPAC1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2cccnc2)C2CC2)CN1c1cccc(Br)c1
InChIInChI=1S/C20H20BrN3O2/c21-16-4-1-5-18(10-16)23-13-15(9-19(23)25)20(26)24(17-6-7-17)12-14-3-2-8-22-11-14/h1-5,8,10-11,15,17H,6-7,9,12-13H2
InChIKeyHHXBLQKKZLXECL-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.39
Rot. Bonds5

About 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 42953091) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID42953091
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2cccnc2)C2CC2)CN1c1cccc(Br)c1
InChIInChI=1S/C20H20BrN3O2/c21-16-4-1-5-18(10-16)23-13-15(9-19(23)25)20(26)24(17-6-7-17)12-14-3-2-8-22-11-14/h1-5,8,10-11,15,17H,6-7,9,12-13H2
InChIKeyHHXBLQKKZLXECL-UHFFFAOYSA-N
XLogP3.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 119194539
1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55577980
1-(3-bromophenyl)-N-(oxan-4-yl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 90610938
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72933231
1-(3-bromophenyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55675481
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684524
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119656166
(3S)-N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51696132
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 119633918
(3R)-1-(3-bromophenyl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 37183309

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 42953091) is 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(Cc2cccnc2)C2CC2)CN1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is HHXBLQKKZLXECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c21-16-4-1-5-18(10-16)23-13-15(9-19(23)25)20(26)24(17-6-7-17)12-14-3-2-8-22-11-14/h1-5,8,10-11,15,17H,6-7,9,12-13H2.
What are the key properties of 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42953091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).