6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid

C15H22N2O2 — CID 106904706

IUPAC6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCC(NCc2cccc(C(=O)O)n2)C(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(17-12)15(18)19/h3-5,10-11,13,16H,6-9H2,1-2H3,(H,18,19)
InChIKeyJSXCVDRUALVTNO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.69
Rot. Bonds4

About 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid

6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904706) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904706
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCC(NCc2cccc(C(=O)O)n2)C(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(17-12)15(18)19/h3-5,10-11,13,16H,6-9H2,1-2H3,(H,18,19)
InChIKeyJSXCVDRUALVTNO-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904960
2-[[(2,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103251979
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
2-[(2,4-dimethylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107554016
6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
CID 114119978
2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170767
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904188
6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904290
6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid
CID 106904699
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650
2,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 80709898

Frequently Asked Questions

What is the IUPAC name of 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid (CID 106904706) is 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid is CC1CCC(NCc2cccc(C(=O)O)n2)C(C)C1.
What is the InChIKey of 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is JSXCVDRUALVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(17-12)15(18)19/h3-5,10-11,13,16H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid?
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).