N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide

C13H11ClFN5O4 — CID 168774420

IUPACN-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide
SMILESCNc1c([N+](=O)[O-])ncc(Oc2cc(NC(C)=O)ncc2F)c1Cl
InChIInChI=1S/C13H11ClFN5O4/c1-6(21)19-10-3-8(7(15)4-17-10)24-9-5-18-13(20(22)23)12(16-2)11(9)14/h3-5,16H,1-2H3,(H,17,19,21)
InChIKeyJVAVQKPNPDGLAH-UHFFFAOYSA-N
MW355.71 g/mol
LogP2.97
Rot. Bonds5

About N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide

N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide (PubChem CID 168774420) has the molecular formula C13H11ClFN5O4 and a molecular weight of 355.71 g/mol. Its IUPAC name is N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide
PubChem CID168774420
Molecular FormulaC13H11ClFN5O4
Molecular Weight355.71 g/mol
Exact Mass355.05
IUPAC NameN-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide
SMILESCNc1c([N+](=O)[O-])ncc(Oc2cc(NC(C)=O)ncc2F)c1Cl
InChIInChI=1S/C13H11ClFN5O4/c1-6(21)19-10-3-8(7(15)4-17-10)24-9-5-18-13(20(22)23)12(16-2)11(9)14/h3-5,16H,1-2H3,(H,17,19,21)
InChIKeyJVAVQKPNPDGLAH-UHFFFAOYSA-N
XLogP2.97
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide (CID 168774420) is N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide is CNc1c([N+](=O)[O-])ncc(Oc2cc(NC(C)=O)ncc2F)c1Cl.
What is the InChIKey of N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
The InChIKey is JVAVQKPNPDGLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5O4/c1-6(21)19-10-3-8(7(15)4-17-10)24-9-5-18-13(20(22)23)12(16-2)11(9)14/h3-5,16H,1-2H3,(H,17,19,21).
What are the key properties of N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide has a molecular weight of 355.71 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 168774420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).