4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O2 — CID 66279255

IUPAC4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H18N2O2/c1-9-2-7-12(14-8-9)15-11-5-3-10(4-6-11)13(16)17/h2,7-8,10-11H,3-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGGPVQOXEVSGTJY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.45
Rot. Bonds3

About 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 66279255) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID66279255
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H18N2O2/c1-9-2-7-12(14-8-9)15-11-5-3-10(4-6-11)13(16)17/h2,7-8,10-11H,3-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGGPVQOXEVSGTJY-UHFFFAOYSA-N
XLogP2.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 118092598
4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86694119
4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 155222928
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583
N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322147
4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 168882205
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
CID 115268661

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 66279255) is 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is Cc1ccc(NC2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GGPVQOXEVSGTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-7-12(14-8-9)15-11-5-3-10(4-6-11)13(16)17/h2,7-8,10-11H,3-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66279255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).