2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid

C15H22N2O2 — CID 114198751

IUPAC2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
SMILESC[C@H](NCc1ncccc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-6-3-2-4-7-12)17-10-14-13(15(18)19)8-5-9-16-14/h5,8-9,11-12,17H,2-4,6-7,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyODJHFRZRZRAUFM-NSHDSACASA-N
MW262.35 g/mol
LogP2.84
Rot. Bonds5

About 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid

2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198751) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
PubChem CID114198751
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
SMILESC[C@H](NCc1ncccc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11(12-6-3-2-4-7-12)17-10-14-13(15(18)19)8-5-9-16-14/h5,8-9,11-12,17H,2-4,6-7,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyODJHFRZRZRAUFM-NSHDSACASA-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

2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198630
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
2-[2-[[(1S)-1-cyclohexylethyl]amino]ethoxy]benzoic acid
CID 103257504
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700240
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
5-[[[(1S)-1-cycloheptylethyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 104891450
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352
2-[(1-thiophen-3-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198700
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid (CID 114198751) is 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid is C[C@H](NCc1ncccc1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is ODJHFRZRZRAUFM-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-6-3-2-4-7-12)17-10-14-13(15(18)19)8-5-9-16-14/h5,8-9,11-12,17H,2-4,6-7,10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid?
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-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 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).