6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid

C15H22N2O2 — CID 106904668

IUPAC6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
SMILESCC(NCc1cccc(C(=O)O)n1)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-6-3-2-4-7-12)16-10-13-8-5-9-14(17-13)15(18)19/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3,(H,18,19)
InChIKeyWGYSEUHLWWNZQG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.84
Rot. Bonds5

About 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid

6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904668) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
PubChem CID106904668
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
SMILESCC(NCc1cccc(C(=O)O)n1)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-6-3-2-4-7-12)16-10-13-8-5-9-14(17-13)15(18)19/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3,(H,18,19)
InChIKeyWGYSEUHLWWNZQG-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198751
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 106903990
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid
CID 106904746
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid (CID 106904668) is 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid is CC(NCc1cccc(C(=O)O)n1)C1CCCCC1.
What is the InChIKey of 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is WGYSEUHLWWNZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-6-3-2-4-7-12)16-10-13-8-5-9-14(17-13)15(18)19/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3,(H,18,19).
What are the key properties of 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid?
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).