methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate

C18H27NO3 — CID 146470863

IUPACmethyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate
SMILESCCC(C(=O)OC)C1CCC(c2ccnc(OC)c2C)CC1
InChIInChI=1S/C18H27NO3/c1-5-15(18(20)22-4)13-6-8-14(9-7-13)16-10-11-19-17(21-3)12(16)2/h10-11,13-15H,5-9H2,1-4H3
InChIKeyIDBFCNDSLDKTOY-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.87
Rot. Bonds5

About methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate

methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate (PubChem CID 146470863) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate
PubChem CID146470863
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namemethyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate
SMILESCCC(C(=O)OC)C1CCC(c2ccnc(OC)c2C)CC1
InChIInChI=1S/C18H27NO3/c1-5-15(18(20)22-4)13-6-8-14(9-7-13)16-10-11-19-17(21-3)12(16)2/h10-11,13-15H,5-9H2,1-4H3
InChIKeyIDBFCNDSLDKTOY-UHFFFAOYSA-N
XLogP3.87
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate
CID 142471167
ethyl 3-ethoxy-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 142752041
ethyl 2-[4-(6-methyl-2-pyridinyl)cyclohexyl]butanoate
CID 142471263
N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide
CID 146470875
[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate
CID 118915583
4-cyclopropyl-2-methoxypyridin-3-ol
CID 170641670
(3S)-3-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]-1-(6-methoxy-3-pyridinyl)pentan-1-one
CID 159631120
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
CID 164622087
methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate
CID 175669708
ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
CID 134203331
ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate
CID 70525362
ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 121318744

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate?
The IUPAC name of methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate (CID 146470863) is methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate?
The canonical SMILES for methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate is CCC(C(=O)OC)C1CCC(c2ccnc(OC)c2C)CC1.
What is the InChIKey of methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate?
The InChIKey is IDBFCNDSLDKTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-15(18(20)22-4)13-6-8-14(9-7-13)16-10-11-19-17(21-3)12(16)2/h10-11,13-15H,5-9H2,1-4H3.
What are the key properties of methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate?
methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate has a molecular weight of 305.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate is sourced from PubChem (CID 146470863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).