2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide

C13H15N3O4 — CID 52890111

IUPAC2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O4/c1-3-8-15(9-4-2)12(17)10-20-11-6-5-7-14-13(11)16(18)19/h3-7H,1-2,8-10H2
InChIKeyWCJQOFIZIPCBAR-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.57
Rot. Bonds8

About 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide

2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 52890111) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
PubChem CID52890111
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O4/c1-3-8-15(9-4-2)12(17)10-20-11-6-5-7-14-13(11)16(18)19/h3-7H,1-2,8-10H2
InChIKeyWCJQOFIZIPCBAR-UHFFFAOYSA-N
XLogP1.57
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(2-nitro-3-pyridinyl)oxy]-N-prop-2-enylacetamide
CID 27968789
N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347080
2-[(2-nitro-3-pyridinyl)oxymethyl]prop-2-ene-1-thiol
CID 103073721
3-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-4-nitrobenzoate
CID 9118651
2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765507
N-ethyl-N-naphthalen-1-yl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29312739
N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 8649325
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8649361
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
methyl 2-methyl-4-[(2-nitro-3-pyridinyl)oxy]but-2-enoate
CID 77074652
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide (CID 52890111) is 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is WCJQOFIZIPCBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-3-8-15(9-4-2)12(17)10-20-11-6-5-7-14-13(11)16(18)19/h3-7H,1-2,8-10H2.
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide?
2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 277.28 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 52890111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).