methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate

C26H40N2O4 — CID 67519671

IUPACmethyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCCc1c(CC)cc(C(=O)NC2(C(=O)OC)CCCCC2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C26H40N2O4/c1-4-12-22-20(5-2)17-21(24(30)28(22)18-19-13-8-6-9-14-19)23(29)27-26(25(31)32-3)15-10-7-11-16-26/h17,19H,4-16,18H2,1-3H3,(H,27,29)
InChIKeyOBCRBTMDGPTSHR-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.55
Rot. Bonds8

About methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate

methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 67519671) has the molecular formula C26H40N2O4 and a molecular weight of 444.62 g/mol. Its IUPAC name is methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID67519671
Molecular FormulaC26H40N2O4
Molecular Weight444.62 g/mol
Exact Mass444.30
IUPAC Namemethyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCCc1c(CC)cc(C(=O)NC2(C(=O)OC)CCCCC2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C26H40N2O4/c1-4-12-22-20(5-2)17-21(24(30)28(22)18-19-13-8-6-9-14-19)23(29)27-26(25(31)32-3)15-10-7-11-16-26/h17,19H,4-16,18H2,1-3H3,(H,27,29)
InChIKeyOBCRBTMDGPTSHR-UHFFFAOYSA-N
XLogP4.55
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 67519671) is methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate is CCCc1c(CC)cc(C(=O)NC2(C(=O)OC)CCCCC2)c(=O)n1CC1CCCCC1.
What is the InChIKey of methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is OBCRBTMDGPTSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O4/c1-4-12-22-20(5-2)17-21(24(30)28(22)18-19-13-8-6-9-14-19)23(29)27-26(25(31)32-3)15-10-7-11-16-26/h17,19H,4-16,18H2,1-3H3,(H,27,29).
What are the key properties of methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 444.62 g/mol, XLogP of 4.55, 8 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-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67519671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).