2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide

C13H20N2O2 — CID 136538923

IUPAC2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide
SMILESCCC(C)C(OC)C(=O)Nc1ccc(C)nc1
InChIInChI=1S/C13H20N2O2/c1-5-9(2)12(17-4)13(16)15-11-7-6-10(3)14-8-11/h6-9,12H,5H2,1-4H3,(H,15,16)
InChIKeyHGZUBRUXBKLRJN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide

2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide (PubChem CID 136538923) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide
PubChem CID136538923
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide
SMILESCCC(C)C(OC)C(=O)Nc1ccc(C)nc1
InChIInChI=1S/C13H20N2O2/c1-5-9(2)12(17-4)13(16)15-11-7-6-10(3)14-8-11/h6-9,12H,5H2,1-4H3,(H,15,16)
InChIKeyHGZUBRUXBKLRJN-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide?
The IUPAC name of 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide (CID 136538923) is 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide?
The canonical SMILES for 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide is CCC(C)C(OC)C(=O)Nc1ccc(C)nc1.
What is the InChIKey of 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide?
The InChIKey is HGZUBRUXBKLRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-9(2)12(17-4)13(16)15-11-7-6-10(3)14-8-11/h6-9,12H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide?
2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide has a molecular weight of 236.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-(6-methyl-3-pyridinyl)pentanamide is sourced from PubChem (CID 136538923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).