5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid

C14H20N2O2 — CID 115490737

IUPAC5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCCC1Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O2/c1-2-10-5-3-4-6-12(10)16-11-7-8-13(14(17)18)15-9-11/h7-10,12,16H,2-6H2,1H3,(H,17,18)
InChIKeySEOHTXFDMDBSCC-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.16
Rot. Bonds4

About 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid

5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid (PubChem CID 115490737) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
PubChem CID115490737
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCCC1Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O2/c1-2-10-5-3-4-6-12(10)16-11-7-8-13(14(17)18)15-9-11/h7-10,12,16H,2-6H2,1H3,(H,17,18)
InChIKeySEOHTXFDMDBSCC-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 115490910
5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 114123524
4-[(2-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81281868
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
N-[4-[(2-ethylcyclopentyl)amino]phenyl]-2-methylpropanamide
CID 115917194
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline
CID 63862131
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 61468009
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
N-(2-ethylcyclopentyl)quinolin-3-amine
CID 113483363

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid (CID 115490737) is 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid is CCC1CCCCC1Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The InChIKey is SEOHTXFDMDBSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-5-3-4-6-12(10)16-11-7-8-13(14(17)18)15-9-11/h7-10,12,16H,2-6H2,1H3,(H,17,18).
What are the key properties of 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).