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

C16H17N3O4 — CID 4818072

IUPACN-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H17N3O4/c1-12-8-9-14(16(17-12)19(21)22)23-11-15(20)18(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyCAJXFTVZTOQSMR-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.34
Rot. Bonds6

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

N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4818072) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4818072
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H17N3O4/c1-12-8-9-14(16(17-12)19(21)22)23-11-15(20)18(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyCAJXFTVZTOQSMR-UHFFFAOYSA-N
XLogP2.34
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.34
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]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4818072) is N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=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]acetamide?
The InChIKey is CAJXFTVZTOQSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-12-8-9-14(16(17-12)19(21)22)23-11-15(20)18(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-benzyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.34, 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]acetamide is sourced from PubChem (CID 4818072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).