2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide

C14H20N2O2 — CID 126842070

IUPAC2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide
SMILESC=C(C)CC(C)C(=O)NOCc1cccc(C)n1
InChIInChI=1S/C14H20N2O2/c1-10(2)8-11(3)14(17)16-18-9-13-7-5-6-12(4)15-13/h5-7,11H,1,8-9H2,2-4H3,(H,16,17)
InChIKeyXOQCJNSTDQCKAC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.54
Rot. Bonds6

About 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide

2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide (PubChem CID 126842070) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide
PubChem CID126842070
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide
SMILESC=C(C)CC(C)C(=O)NOCc1cccc(C)n1
InChIInChI=1S/C14H20N2O2/c1-10(2)8-11(3)14(17)16-18-9-13-7-5-6-12(4)15-13/h5-7,11H,1,8-9H2,2-4H3,(H,16,17)
InChIKeyXOQCJNSTDQCKAC-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide?
The IUPAC name of 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide (CID 126842070) is 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide.
What is the SMILES notation for 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide?
The canonical SMILES for 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide is C=C(C)CC(C)C(=O)NOCc1cccc(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide?
The InChIKey is XOQCJNSTDQCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)8-11(3)14(17)16-18-9-13-7-5-6-12(4)15-13/h5-7,11H,1,8-9H2,2-4H3,(H,16,17).
What are the key properties of 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide?
2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide has a molecular weight of 248.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]pent-4-enamide is sourced from PubChem (CID 126842070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).