ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate

C17H24N2O2 — CID 58994431

IUPACethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(N)c(C2=CCC(C)(C)CC2)n1
InChIInChI=1S/C17H24N2O2/c1-4-21-15(20)11-13-5-6-14(18)16(19-13)12-7-9-17(2,3)10-8-12/h5-7H,4,8-11,18H2,1-3H3
InChIKeyHYDSTZDUMBHZGZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.36
Rot. Bonds4

About ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate

ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate (PubChem CID 58994431) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate
PubChem CID58994431
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(N)c(C2=CCC(C)(C)CC2)n1
InChIInChI=1S/C17H24N2O2/c1-4-21-15(20)11-13-5-6-14(18)16(19-13)12-7-9-17(2,3)10-8-12/h5-7H,4,8-11,18H2,1-3H3
InChIKeyHYDSTZDUMBHZGZ-UHFFFAOYSA-N
XLogP3.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-pyridinyl]acetate
CID 157467876
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-(6-bromo-5-fluoro-2-pyridinyl)acetate
CID 133098158
ethyl 2-(5-bromo-6-fluoro-2-pyridinyl)acetate
CID 133098162
ethyl 2-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]acetate
CID 80573999
CID 164570671
CID 164570671
ethyl 2-[4-amino-3-(aminomethyl)phenyl]acetate
CID 174585118
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-(6-fluoro-5-methoxy-2-pyridinyl)acetate
CID 133096473
ethyl 2-[2-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
CID 80574312
3-[4-amino-3-(4,4-dimethylcyclohexen-1-yl)phenyl]propanamide
CID 58994512
propan-2-yl 2-[5-bromo-4-(4,4-dimethylcyclohexen-1-yl)-2,6-dimethyl-3-pyridinyl]acetate
CID 126617512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate (CID 58994431) is ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate is CCOC(=O)Cc1ccc(N)c(C2=CCC(C)(C)CC2)n1.
What is the InChIKey of ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate?
The InChIKey is HYDSTZDUMBHZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-21-15(20)11-13-5-6-14(18)16(19-13)12-7-9-17(2,3)10-8-12/h5-7H,4,8-11,18H2,1-3H3.
What are the key properties of ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate?
ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate has a molecular weight of 288.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]acetate is sourced from PubChem (CID 58994431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).