N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide

C11H13N3O4 — CID 169466073

IUPACN-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCOc1ncc([N+](=O)[O-])cc1C=CCNC(C)=O
InChIInChI=1S/C11H13N3O4/c1-8(15)12-5-3-4-9-6-10(14(16)17)7-13-11(9)18-2/h3-4,6-7H,5H2,1-2H3,(H,12,15)
InChIKeyLSPWQXYXEBCZTQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.15
Rot. Bonds5

About N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide

N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169466073) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
PubChem CID169466073
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCOc1ncc([N+](=O)[O-])cc1C=CCNC(C)=O
InChIInChI=1S/C11H13N3O4/c1-8(15)12-5-3-4-9-6-10(14(16)17)7-13-11(9)18-2/h3-4,6-7H,5H2,1-2H3,(H,12,15)
InChIKeyLSPWQXYXEBCZTQ-UHFFFAOYSA-N
XLogP1.15
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.15
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-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531
4-(2-methoxy-5-nitro-3-pyridinyl)but-3-enenitrile
CID 170800303
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
CID 169466052
N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
CID 170830706
N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
CID 169466328
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466149
N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465794
N-[4-(5-nitro-2-pyridinyl)but-3-enyl]acetamide
CID 170488639
N-[4-(3-formyl-2-hydroxy-5-nitrophenyl)but-3-enyl]acetamide
CID 170489567
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
CID 169465865

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide (CID 169466073) is N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide is COc1ncc([N+](=O)[O-])cc1C=CCNC(C)=O.
What is the InChIKey of N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is LSPWQXYXEBCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-8(15)12-5-3-4-9-6-10(14(16)17)7-13-11(9)18-2/h3-4,6-7H,5H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 251.24 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).