1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H17BrN2O3 — CID 153387632

IUPAC1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccc(Br)n1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17BrN2O3/c15-11-6-4-5-10(16-11)9-12(18)17-14(13(19)20)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)(H,19,20)
InChIKeyLSQTUIFHZBBBOP-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.29
Rot. Bonds4

About 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 153387632) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID153387632
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccc(Br)n1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17BrN2O3/c15-11-6-4-5-10(16-11)9-12(18)17-14(13(19)20)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)(H,19,20)
InChIKeyLSQTUIFHZBBBOP-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166277022
1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 71757293
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[5-(6-bromo-2-pyridinyl)pentyl]cyclohexane-1-carboxylic acid
CID 58201299
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 107338192
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910187
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 153387632) is 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cc1cccc(Br)n1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LSQTUIFHZBBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-6-4-5-10(16-11)9-12(18)17-14(13(19)20)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 153387632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).