methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate

C20H28N2O3 — CID 71087556

IUPACmethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1NC(=O)c1cccc(C2CCCCC2)n1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)15-10-5-6-11-17(15)22-19(23)18-13-7-12-16(21-18)14-8-3-2-4-9-14/h7,12-15,17H,2-6,8-11H2,1H3,(H,22,23)
InChIKeyLELCIEQQGKKZQA-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.59
Rot. Bonds4

About methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate

methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 71087556) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID71087556
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namemethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1NC(=O)c1cccc(C2CCCCC2)n1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)15-10-5-6-11-17(15)22-19(23)18-13-7-12-16(21-18)14-8-3-2-4-9-14/h7,12-15,17H,2-6,8-11H2,1H3,(H,22,23)
InChIKeyLELCIEQQGKKZQA-UHFFFAOYSA-N
XLogP3.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate (CID 71087556) is methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1NC(=O)c1cccc(C2CCCCC2)n1.
What is the InChIKey of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is LELCIEQQGKKZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-20(24)15-10-5-6-11-17(15)22-19(23)18-13-7-12-16(21-18)14-8-3-2-4-9-14/h7,12-15,17H,2-6,8-11H2,1H3,(H,22,23).
What are the key properties of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 71087556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).