6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid

C13H18N2O3 — CID 122057995

IUPAC6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C13H18N2O3/c16-11-6-2-1-4-9(11)8-14-12-7-3-5-10(15-12)13(17)18/h3,5,7,9,11,16H,1-2,4,6,8H2,(H,14,15)(H,17,18)/t9-,11+/m1/s1
InChIKeyPIIHYLPGRXEWJQ-KOLCDFICSA-N
MW250.30 g/mol
LogP1.74
Rot. Bonds4

About 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid

6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122057995) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122057995
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C13H18N2O3/c16-11-6-2-1-4-9(11)8-14-12-7-3-5-10(15-12)13(17)18/h3,5,7,9,11,16H,1-2,4,6,8H2,(H,14,15)(H,17,18)/t9-,11+/m1/s1
InChIKeyPIIHYLPGRXEWJQ-KOLCDFICSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid
CID 122058138
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80856454
6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 122057801
6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 122048859
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
2-[[(6-aminoquinolin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64929609
6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
CID 136548093
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid (CID 122057995) is 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC[C@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is PIIHYLPGRXEWJQ-KOLCDFICSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-6-2-1-4-9(11)8-14-12-7-3-5-10(15-12)13(17)18/h3,5,7,9,11,16H,1-2,4,6,8H2,(H,14,15)(H,17,18)/t9-,11+/m1/s1.
What are the key properties of 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid?
6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).