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

Fusaric Acid
CID 3442
6-Methylpyridine-2-carboxylic acid
CID 70282
5-Cyclohexylpicolinic acid
CID 658651
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-heptyl-
CID 212529
Picolinic acid, 5-propyl-
CID 217663
2-Pyridinecarboxylic acid, 5-(phenylmethyl)-
CID 3042842
5-Ethylpicolinic acid
CID 120375
5-(3-Methylbutyl)-2-pyridinecarboxylic acid
CID 39522
Picolinic acid, 5-octyl-
CID 213487

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).