N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide

C17H19N3O4 — CID 24684652

IUPACN-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C17H19N3O4/c1-12-9-10-15(16(18-12)20(22)23)24-13(2)17(21)19(3)11-14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3
InChIKeyMXSKEADLZKDWGL-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.72
Rot. Bonds6

About N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide

N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 24684652) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID24684652
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C17H19N3O4/c1-12-9-10-15(16(18-12)20(22)23)24-13(2)17(21)19(3)11-14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3
InChIKeyMXSKEADLZKDWGL-UHFFFAOYSA-N
XLogP2.72
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (CID 24684652) is N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is Cc1ccc(OC(C)C(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1.
What is the InChIKey of N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is MXSKEADLZKDWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-9-10-15(16(18-12)20(22)23)24-13(2)17(21)19(3)11-14-7-5-4-6-8-14/h4-10,13H,11H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 329.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 24684652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).