ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate

C18H27ClN2O2 — CID 68966974

IUPACethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCC(C(C)(C)C)CC2)c(Cl)c1
InChIInChI=1S/C18H27ClN2O2/c1-5-23-17(22)12-10-15(19)16(20-11-12)21-14-8-6-13(7-9-14)18(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,20,21)
InChIKeyCNDWMIQCLGOTCG-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.93
Rot. Bonds4

About ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate

ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate (PubChem CID 68966974) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate
PubChem CID68966974
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Nameethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCC(C(C)(C)C)CC2)c(Cl)c1
InChIInChI=1S/C18H27ClN2O2/c1-5-23-17(22)12-10-15(19)16(20-11-12)21-14-8-6-13(7-9-14)18(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,20,21)
InChIKeyCNDWMIQCLGOTCG-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-chloro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 68960873
3-[6-[(4-tert-butylcyclohexyl)amino]-5-chloro-3-pyridinyl]prop-2-enoic acid
CID 68964926
ethyl 5-chloro-6-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 59242143
5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid
CID 114100429
methyl 3-[(4-tert-butylcyclohexyl)amino]-4-chloroisoquinoline-6-carboxylate
CID 90029440
ethyl 5-fluoro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 68966499
3-O-(4-tert-butylcyclohexyl) 1-O-ethyl benzene-1,3-dicarboxylate
CID 91732085
4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122060149
ethyl 5-chloro-6-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 24750878
CID 87867883
CID 87867883
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
ethyl 3,4,5-trichlorobenzoate
CID 14692896

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate (CID 68966974) is ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate is CCOC(=O)c1cnc(NC2CCC(C(C)(C)C)CC2)c(Cl)c1.
What is the InChIKey of ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate?
The InChIKey is CNDWMIQCLGOTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-5-23-17(22)12-10-15(19)16(20-11-12)21-14-8-6-13(7-9-14)18(2,3)4/h10-11,13-14H,5-9H2,1-4H3,(H,20,21).
What are the key properties of ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate?
ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate has a molecular weight of 338.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate is sourced from PubChem (CID 68966974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).