2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid

C13H18N2O3 — CID 102632507

IUPAC2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
SMILESCN(c1cc(C(=O)O)ccn1)C1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-15(10-4-2-3-5-11(10)16)12-8-9(13(17)18)6-7-14-12/h6-8,10-11,16H,2-5H2,1H3,(H,17,18)
InChIKeyFPRFEGAFBOYOCL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds3

About 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid

2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid (PubChem CID 102632507) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
PubChem CID102632507
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
SMILESCN(c1cc(C(=O)O)ccn1)C1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-15(10-4-2-3-5-11(10)16)12-8-9(13(17)18)6-7-14-12/h6-8,10-11,16H,2-5H2,1H3,(H,17,18)
InChIKeyFPRFEGAFBOYOCL-UHFFFAOYSA-N
XLogP1.52
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 62361251
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
CID 102632504
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102640081
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 55004929
6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid
CID 102632500
4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632519
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxamide
CID 114090686

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid (CID 102632507) is 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid is CN(c1cc(C(=O)O)ccn1)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid?
The InChIKey is FPRFEGAFBOYOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(10-4-2-3-5-11(10)16)12-8-9(13(17)18)6-7-14-12/h6-8,10-11,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid?
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 102632507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).