methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate

C23H34N2O4 — CID 67519879

IUPACmethyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(C)c(C)n(CC3CCCCC3)c2=O)CCCCC1
InChIInChI=1S/C23H34N2O4/c1-16-14-19(20(26)24-23(22(28)29-3)12-8-5-9-13-23)21(27)25(17(16)2)15-18-10-6-4-7-11-18/h14,18H,4-13,15H2,1-3H3,(H,24,26)
InChIKeyPYTQHWQODUDWGX-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.65
Rot. Bonds5

About methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate

methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 67519879) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID67519879
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Namemethyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc(C)c(C)n(CC3CCCCC3)c2=O)CCCCC1
InChIInChI=1S/C23H34N2O4/c1-16-14-19(20(26)24-23(22(28)29-3)12-8-5-9-13-23)21(27)25(17(16)2)15-18-10-6-4-7-11-18/h14,18H,4-13,15H2,1-3H3,(H,24,26)
InChIKeyPYTQHWQODUDWGX-UHFFFAOYSA-N
XLogP3.65
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 67519879) is methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2cc(C)c(C)n(CC3CCCCC3)c2=O)CCCCC1.
What is the InChIKey of methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is PYTQHWQODUDWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-16-14-19(20(26)24-23(22(28)29-3)12-8-5-9-13-23)21(27)25(17(16)2)15-18-10-6-4-7-11-18/h14,18H,4-13,15H2,1-3H3,(H,24,26).
What are the key properties of methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 402.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67519879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).