methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate

C15H20N2O4 — CID 115617207

IUPACmethyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-17-8-7-11(9-13(17)18)14(19)16-12-5-3-10(4-6-12)15(20)21-2/h7-10,12H,3-6H2,1-2H3,(H,16,19)
InChIKeyJIHRWVRUXLNAKG-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.85
Rot. Bonds3

About methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 115617207) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID115617207
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-17-8-7-11(9-13(17)18)14(19)16-12-5-3-10(4-6-12)15(20)21-2/h7-10,12H,3-6H2,1-2H3,(H,16,19)
InChIKeyJIHRWVRUXLNAKG-UHFFFAOYSA-N
XLogP0.85
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate (CID 115617207) is methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is JIHRWVRUXLNAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17-8-7-11(9-13(17)18)14(19)16-12-5-3-10(4-6-12)15(20)21-2/h7-10,12H,3-6H2,1-2H3,(H,16,19).
What are the key properties of methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115617207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).