N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

C₁₆H₁₆N₂O₂ — CID 154800116

About N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 154800116) has the molecular formula C₁₆H₁₆N₂O₂ and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
• PubChem CID: 154800116
• Molecular Formula: C₁₆H₁₆N₂O₂
• Molecular Weight: 268.32 g/mol
• Exact Mass: 268.12
• IUPAC Name: N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(OCc2cccnc2)cc1C
• InChI: InChI=1S/C16H16N2O2/c1-3-16(19)18-15-7-6-14(9-12(15)2)20-11-13-5-4-8-17-10-13/h3-10H,1,11H2,2H3,(H,18,19)
• InChIKey: RKSUMHXFGNALJC-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.32
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?

The IUPAC name of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (CID 154800116) is N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?

The canonical SMILES for N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OCc2cccnc2)cc1C.

What is the InChIKey of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?

The InChIKey is RKSUMHXFGNALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-16(19)18-15-7-6-14(9-12(15)2)20-11-13-5-4-8-17-10-13/h3-10H,1,11H2,2H3,(H,18,19).

What are the key properties of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?

N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 154800116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154800116 — identifiers, structure, computed properties (public domain)

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