ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate

C17H26N2O2 — CID 63541483

IUPACethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC2CCC(CC)CC2)nc1
InChIInChI=1S/C17H26N2O2/c1-3-13-5-7-14(8-6-13)11-18-16-10-9-15(12-19-16)17(20)21-4-2/h9-10,12-14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyVNKYYQZYMAFHOY-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.89
Rot. Bonds6

About ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate

ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate (PubChem CID 63541483) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
PubChem CID63541483
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC2CCC(CC)CC2)nc1
InChIInChI=1S/C17H26N2O2/c1-3-13-5-7-14(8-6-13)11-18-16-10-9-15(12-19-16)17(20)21-4-2/h9-10,12-14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyVNKYYQZYMAFHOY-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate 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 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
CID 107389562
ethyl 6-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carboxylate
CID 71884720
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
CID 80712830
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate (CID 63541483) is ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC2CCC(CC)CC2)nc1.
What is the InChIKey of ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate?
The InChIKey is VNKYYQZYMAFHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-13-5-7-14(8-6-13)11-18-16-10-9-15(12-19-16)17(20)21-4-2/h9-10,12-14H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 63541483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).