methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate

C18H26N2O4 — CID 75535774

IUPACmethyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate
SMILESCCC1CCC(NC(=O)CCn2ccccc2=O)(C(=O)OC)CC1
InChIInChI=1S/C18H26N2O4/c1-3-14-7-10-18(11-8-14,17(23)24-2)19-15(21)9-13-20-12-5-4-6-16(20)22/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,21)
InChIKeyVPBGERXRMSIRMV-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.87
Rot. Bonds6

About methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate

methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate (PubChem CID 75535774) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate
PubChem CID75535774
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate
SMILESCCC1CCC(NC(=O)CCn2ccccc2=O)(C(=O)OC)CC1
InChIInChI=1S/C18H26N2O4/c1-3-14-7-10-18(11-8-14,17(23)24-2)19-15(21)9-13-20-12-5-4-6-16(20)22/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,21)
InChIKeyVPBGERXRMSIRMV-UHFFFAOYSA-N
XLogP1.87
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate (CID 75535774) is methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate is CCC1CCC(NC(=O)CCn2ccccc2=O)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate?
The InChIKey is VPBGERXRMSIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-14-7-10-18(11-8-14,17(23)24-2)19-15(21)9-13-20-12-5-4-6-16(20)22/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate?
methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 75535774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).