methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate

C18H28N2O3 — CID 175343816

IUPACmethyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate
SMILESCOC(=O)C(CC(C)C)c1cccc(NC(=O)CCC(C)C)n1
InChIInChI=1S/C18H28N2O3/c1-12(2)9-10-17(21)20-16-8-6-7-15(19-16)14(11-13(3)4)18(22)23-5/h6-8,12-14H,9-11H2,1-5H3,(H,19,20,21)
InChIKeyARZLDVJEJUOGQE-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.76
Rot. Bonds8

About methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate

methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate (PubChem CID 175343816) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate
PubChem CID175343816
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namemethyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate
SMILESCOC(=O)C(CC(C)C)c1cccc(NC(=O)CCC(C)C)n1
InChIInChI=1S/C18H28N2O3/c1-12(2)9-10-17(21)20-16-8-6-7-15(19-16)14(11-13(3)4)18(22)23-5/h6-8,12-14H,9-11H2,1-5H3,(H,19,20,21)
InChIKeyARZLDVJEJUOGQE-UHFFFAOYSA-N
XLogP3.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate?
The IUPAC name of methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate (CID 175343816) is methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate is COC(=O)C(CC(C)C)c1cccc(NC(=O)CCC(C)C)n1.
What is the InChIKey of methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate?
The InChIKey is ARZLDVJEJUOGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)9-10-17(21)20-16-8-6-7-15(19-16)14(11-13(3)4)18(22)23-5/h6-8,12-14H,9-11H2,1-5H3,(H,19,20,21).
What are the key properties of methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate?
methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate has a molecular weight of 320.43 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate is sourced from PubChem (CID 175343816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).