N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C11H15N3O4 — CID 3895625

IUPACN-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC(C)CNC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-8(2)6-13-10(15)7-18-9-4-3-5-12-11(9)14(16)17/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeySAZYNIBBRQMMHQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.14
Rot. Bonds6

About N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 3895625) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID3895625
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC(C)CNC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-8(2)6-13-10(15)7-18-9-4-3-5-12-11(9)14(16)17/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeySAZYNIBBRQMMHQ-UHFFFAOYSA-N
XLogP1.14
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
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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Related Compounds

N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
CID 4007812
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 78745371
N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8650969
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40551951
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8649380

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 3895625) is N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CC(C)CNC(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is SAZYNIBBRQMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8(2)6-13-10(15)7-18-9-4-3-5-12-11(9)14(16)17/h3-5,8H,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 253.26 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 3895625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).