1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H25BrN4O3 — CID 121120423

IUPAC1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCn1cnc(C2CCCC2)cc1=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C22H25BrN4O3/c23-17-6-3-7-18(11-17)27-13-16(10-21(27)29)22(30)24-8-9-26-14-25-19(12-20(26)28)15-4-1-2-5-15/h3,6-7,11-12,14-16H,1-2,4-5,8-10,13H2,(H,24,30)
InChIKeyFBURJRAEKNGXCG-UHFFFAOYSA-N
MW473.37 g/mol
LogP2.83
Rot. Bonds6

About 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 121120423) has the molecular formula C22H25BrN4O3 and a molecular weight of 473.37 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID121120423
Molecular FormulaC22H25BrN4O3
Molecular Weight473.37 g/mol
Exact Mass472.11
IUPAC Name1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCn1cnc(C2CCCC2)cc1=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C22H25BrN4O3/c23-17-6-3-7-18(11-17)27-13-16(10-21(27)29)22(30)24-8-9-26-14-25-19(12-20(26)28)15-4-1-2-5-15/h3,6-7,11-12,14-16H,1-2,4-5,8-10,13H2,(H,24,30)
InChIKeyFBURJRAEKNGXCG-UHFFFAOYSA-N
XLogP2.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119037342
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CID 55867800
1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
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1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
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1-(3-bromophenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 121120423) is 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCn1cnc(C2CCCC2)cc1=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FBURJRAEKNGXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O3/c23-17-6-3-7-18(11-17)27-13-16(10-21(27)29)22(30)24-8-9-26-14-25-19(12-20(26)28)15-4-1-2-5-15/h3,6-7,11-12,14-16H,1-2,4-5,8-10,13H2,(H,24,30).
What are the key properties of 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 473.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 121120423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).