methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C15H20N2O4 — CID 103717995

IUPACmethyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2c[nH]c(C)cc2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-9-7-13(18)12(8-16-9)14(19)17-11-5-3-10(4-6-11)15(20)21-2/h7-8,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCAFMGTJJEKYBCI-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.14
Rot. Bonds3

About methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 103717995) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID103717995
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2c[nH]c(C)cc2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-9-7-13(18)12(8-16-9)14(19)17-11-5-3-10(4-6-11)15(20)21-2/h7-8,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCAFMGTJJEKYBCI-UHFFFAOYSA-N
XLogP1.14
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 103717995) is methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2c[nH]c(C)cc2=O)CC1.
What is the InChIKey of methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is CAFMGTJJEKYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-7-13(18)12(8-16-9)14(19)17-11-5-3-10(4-6-11)15(20)21-2/h7-8,10-11H,3-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 103717995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).