2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C14H17BrN2O3 — CID 114511914

IUPAC2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C14H17BrN2O3/c1-2-8-5-10(11(6-8)14(19)20)13(18)17-12-4-3-9(15)7-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyAYTRPMNTZWKWLI-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.92
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511914) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511914
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C14H17BrN2O3/c1-2-8-5-10(11(6-8)14(19)20)13(18)17-12-4-3-9(15)7-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyAYTRPMNTZWKWLI-UHFFFAOYSA-N
XLogP2.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 42564426
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511489
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
4-ethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114931912
4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511373
methyl 4-[(5-bromo-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 58577910
2-(2,5-dibromobenzoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512487
2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511906
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642
2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511484
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718
2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 79994575

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511914) is 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is AYTRPMNTZWKWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-2-8-5-10(11(6-8)14(19)20)13(18)17-12-4-3-9(15)7-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).