N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C24H27BrN4O3 — CID 55932291

IUPACN-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1=O
InChIInChI=1S/C24H27BrN4O3/c1-2-16-5-3-4-6-20(16)29-15-18(13-22(29)30)24(32)28-11-9-17(10-12-28)23(31)27-21-8-7-19(25)14-26-21/h3-8,14,17-18H,2,9-13,15H2,1H3,(H,26,27,31)
InChIKeyTXCKOIYFAUZWQH-UHFFFAOYSA-N
MW499.41 g/mol
LogP3.64
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 55932291) has the molecular formula C24H27BrN4O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID55932291
Molecular FormulaC24H27BrN4O3
Molecular Weight499.41 g/mol
Exact Mass498.13
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1=O
InChIInChI=1S/C24H27BrN4O3/c1-2-16-5-3-4-6-20(16)29-15-18(13-22(29)30)24(32)28-11-9-17(10-12-28)23(31)27-21-8-7-19(25)14-26-21/h3-8,14,17-18H,2,9-13,15H2,1H3,(H,26,27,31)
InChIKeyTXCKOIYFAUZWQH-UHFFFAOYSA-N
XLogP3.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 51265881
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810037
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290
(3R)-N-(4-bromo-2-ethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004583
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251618
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810152
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 55932291) is N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is CCc1ccccc1N1CC(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1=O.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is TXCKOIYFAUZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3/c1-2-16-5-3-4-6-20(16)29-15-18(13-22(29)30)24(32)28-11-9-17(10-12-28)23(31)27-21-8-7-19(25)14-26-21/h3-8,14,17-18H,2,9-13,15H2,1H3,(H,26,27,31).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 499.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55932291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).