methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

C15H20N2O4 — CID 24609522

IUPACmethyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-15(20)11-7-8-14(19)17(9-11)10-13(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,18)
InChIKeyCZRURQHYNWRHLH-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.08
Rot. Bonds4

About methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 24609522) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID24609522
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-15(20)11-7-8-14(19)17(9-11)10-13(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,18)
InChIKeyCZRURQHYNWRHLH-UHFFFAOYSA-N
XLogP1.08
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 24609522) is methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1.
What is the InChIKey of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is CZRURQHYNWRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-15(20)11-7-8-14(19)17(9-11)10-13(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,18).
What are the key properties of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 24609522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).