methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate

C17H24N2O3 — CID 71087944

IUPACmethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1
InChIInChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)19-15(20)14-11-7-10-13(18-14)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyDZGKWTMIOHTIAJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.81
Rot. Bonds4

About methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate

methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate (PubChem CID 71087944) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate
PubChem CID71087944
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1
InChIInChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)19-15(20)14-11-7-10-13(18-14)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyDZGKWTMIOHTIAJ-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.81
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]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate (CID 71087944) is methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1.
What is the InChIKey of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The InChIKey is DZGKWTMIOHTIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)19-15(20)14-11-7-10-13(18-14)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,19,20).
What are the key properties of methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(6-cyclohexylpyridine-2-carbonyl)amino]-2-methylpropanoate has a molecular weight of 304.39 g/mol, XLogP of 2.81, 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]-2-methylpropanoate is sourced from PubChem (CID 71087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).