2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid

C15H22N2O2 — CID 81021216

IUPAC2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2c(C)ccnc2N)C1
InChIInChI=1S/C15H22N2O2/c1-3-10-4-5-11(15(18)19)12(8-10)13-9(2)6-7-17-14(13)16/h6-7,10-12H,3-5,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyZCDPJECKWIVALB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid

2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 81021216) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid
PubChem CID81021216
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(c2c(C)ccnc2N)C1
InChIInChI=1S/C15H22N2O2/c1-3-10-4-5-11(15(18)19)12(8-10)13-9(2)6-7-17-14(13)16/h6-7,10-12H,3-5,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyZCDPJECKWIVALB-UHFFFAOYSA-N
XLogP2.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid (CID 81021216) is 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(c2c(C)ccnc2N)C1.
What is the InChIKey of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is ZCDPJECKWIVALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-10-4-5-11(15(18)19)12(8-10)13-9(2)6-7-17-14(13)16/h6-7,10-12H,3-5,8H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid?
2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-3-pyridinyl)-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).