N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

C15H11N7O6 — CID 2857823

IUPACN-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N7O6/c23-14(8-20-9-17-15(19-20)22(26)27)18-10-4-11(21(24)25)6-13(5-10)28-12-2-1-3-16-7-12/h1-7,9H,8H2,(H,18,23)
InChIKeyYBGSSYVJHSMQMK-UHFFFAOYSA-N
MW385.30 g/mol
LogP1.92
Rot. Bonds7

About N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (PubChem CID 2857823) has the molecular formula C15H11N7O6 and a molecular weight of 385.30 g/mol. Its IUPAC name is N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
PubChem CID2857823
Molecular FormulaC15H11N7O6
Molecular Weight385.30 g/mol
Exact Mass385.08
IUPAC NameN-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N7O6/c23-14(8-20-9-17-15(19-20)22(26)27)18-10-4-11(21(24)25)6-13(5-10)28-12-2-1-3-16-7-12/h1-7,9H,8H2,(H,18,23)
InChIKeyYBGSSYVJHSMQMK-UHFFFAOYSA-N
XLogP1.92
TPSA168.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 2860587
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 1100794
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3111025
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 4564531
N-[3-(5-chloropyridin-3-yl)oxy-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 2257411
2-(5-Methyl-3-nitropyrazol-1-YL)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 3099446
N-(3-nitro-5-(3-pyridyloxy)phenyl)-2-(4-nitroimidazolyl)acetamide
CID 3103706
2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 3104815
N-{3-nitro-5-phenoxyphenyl}-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide
CID 3111027
N-[6-(3-fluoro-5-nitrophenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 57749369
N-[3-nitro-5-(3-pyridinyloxy)phenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1214432
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17023677

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (CID 2857823) is N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The InChIKey is YBGSSYVJHSMQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O6/c23-14(8-20-9-17-15(19-20)22(26)27)18-10-4-11(21(24)25)6-13(5-10)28-12-2-1-3-16-7-12/h1-7,9H,8H2,(H,18,23).
What are the key properties of N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide has a molecular weight of 385.30 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 2857823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).