4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid

C13H18N2O3 — CID 102632519

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
SMILESCN(c1ccncc1C(=O)O)C1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-15(11-4-2-3-5-12(11)16)10-6-7-14-8-9(10)13(17)18/h6-8,11-12,16H,2-5H2,1H3,(H,17,18)
InChIKeyUWIBQDUSSSUFSR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds3

About 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid

4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid (PubChem CID 102632519) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
PubChem CID102632519
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
SMILESCN(c1ccncc1C(=O)O)C1CCCCC1O
InChIInChI=1S/C13H18N2O3/c1-15(11-4-2-3-5-12(11)16)10-6-7-14-8-9(10)13(17)18/h6-8,11-12,16H,2-5H2,1H3,(H,17,18)
InChIKeyUWIBQDUSSSUFSR-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

4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxylic acid
CID 81232650
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
6-chloro-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632530
5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
CID 102632504
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
CID 102632507
4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 107399152
3-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 82754816
4-(N-aminoanilino)pyridine-3-carboxylic acid
CID 121009613
[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
CID 81237882
2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639487
4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81244268
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid (CID 102632519) is 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid is CN(c1ccncc1C(=O)O)C1CCCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid?
The InChIKey is UWIBQDUSSSUFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(11-4-2-3-5-12(11)16)10-6-7-14-8-9(10)13(17)18/h6-8,11-12,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid?
4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-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 4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 102632519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).