ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate

C15H22N2O2 — CID 115149189

IUPACethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C)c2ccncc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)12-4-6-13(7-5-12)17(2)14-8-10-16-11-9-14/h8-13H,3-7H2,1-2H3
InChIKeyLSTKJCFXVIDNMW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.64
Rot. Bonds4

About ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate

ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate (PubChem CID 115149189) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate
PubChem CID115149189
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C)c2ccncc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)12-4-6-13(7-5-12)17(2)14-8-10-16-11-9-14/h8-13H,3-7H2,1-2H3
InChIKeyLSTKJCFXVIDNMW-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[methyl(pyridin-2-yl)amino]cyclohexane-1-carboxylate
CID 115149187
ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate
CID 115149176
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[(7-iodopyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]cyclohexane-1-carboxylate
CID 155042165
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504238
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-pyrimidin-2-yloxycyclohexane-1-carboxylate
CID 86642054
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
ethyl 4-[(3-amino-4-pyridinyl)sulfanylmethyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498100
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate (CID 115149189) is ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(N(C)c2ccncc2)CC1.
What is the InChIKey of ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is LSTKJCFXVIDNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)12-4-6-13(7-5-12)17(2)14-8-10-16-11-9-14/h8-13H,3-7H2,1-2H3.
What are the key properties of ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate?
ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(pyridin-4-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115149189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).