2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide

C14H11FN4O4 — CID 167495886

IUPAC2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide
SMILESC=C(F)C(=O)Nc1ccc(Oc2ncc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H11FN4O4/c1-8-5-11(19(21)22)14(17-6-8)23-10-3-4-12(16-7-10)18-13(20)9(2)15/h3-7H,2H2,1H3,(H,16,18,20)
InChIKeyPCEFEIMXYFWXLB-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.91
Rot. Bonds5

About 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide

2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide (PubChem CID 167495886) has the molecular formula C14H11FN4O4 and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide
PubChem CID167495886
Molecular FormulaC14H11FN4O4
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide
SMILESC=C(F)C(=O)Nc1ccc(Oc2ncc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H11FN4O4/c1-8-5-11(19(21)22)14(17-6-8)23-10-3-4-12(16-7-10)18-13(20)9(2)15/h3-7H,2H2,1H3,(H,16,18,20)
InChIKeyPCEFEIMXYFWXLB-UHFFFAOYSA-N
XLogP2.91
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
N-[5-[(3-amino-5-methyl-2-pyridinyl)oxy]pyrazin-2-yl]-2-fluoroprop-2-enamide
CID 167496025
N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55789778
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
(E)-N-[4-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenyl]-4-prop-2-ynoxybut-2-enamide
CID 167495751
N-[3-cyano-4-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide
CID 167495922
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]-3-prop-2-ynoxybenzoate
CID 167495740

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide (CID 167495886) is 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide is C=C(F)C(=O)Nc1ccc(Oc2ncc(C)cc2[N+](=O)[O-])cn1.
What is the InChIKey of 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide?
The InChIKey is PCEFEIMXYFWXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O4/c1-8-5-11(19(21)22)14(17-6-8)23-10-3-4-12(16-7-10)18-13(20)9(2)15/h3-7H,2H2,1H3,(H,16,18,20).
What are the key properties of 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide?
2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide has a molecular weight of 318.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 167495886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).