N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C19H12F3N3O4 — CID 12894406

IUPACN-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)12-4-1-7-15(10-12)29-18-16(8-3-9-23-18)17(26)24-13-5-2-6-14(11-13)25(27)28/h1-11H,(H,24,26)
InChIKeyRQIZOEMURCRVMA-UHFFFAOYSA-N
MW403.32 g/mol
LogP5.05
Rot. Bonds5

About N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 12894406) has the molecular formula C19H12F3N3O4 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID12894406
Molecular FormulaC19H12F3N3O4
Molecular Weight403.32 g/mol
Exact Mass403.08
IUPAC NameN-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)12-4-1-7-15(10-12)29-18-16(8-3-9-23-18)17(26)24-13-5-2-6-14(11-13)25(27)28/h1-11H,(H,24,26)
InChIKeyRQIZOEMURCRVMA-UHFFFAOYSA-N
XLogP5.05
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 55.05
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-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44759446
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
1-(3-nitrophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]propanoylamino]urea
CID 17377710

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 12894406) is N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is RQIZOEMURCRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O4/c20-19(21,22)12-4-1-7-15(10-12)29-18-16(8-3-9-23-18)17(26)24-13-5-2-6-14(11-13)25(27)28/h1-11H,(H,24,26).
What are the key properties of N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 12894406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).