4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide

C18H14N4O4 — CID 133328894

IUPAC4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
SMILESCc1cc(Oc2ccc(C(=O)Nc3cccnc3)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O4/c1-12-9-17(20-11-16(12)22(24)25)26-15-6-4-13(5-7-15)18(23)21-14-3-2-8-19-10-14/h2-11H,1H3,(H,21,23)
InChIKeyYWIGLKDQDBMFFU-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.74
Rot. Bonds5

About 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide

4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide (PubChem CID 133328894) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
PubChem CID133328894
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
SMILESCc1cc(Oc2ccc(C(=O)Nc3cccnc3)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O4/c1-12-9-17(20-11-16(12)22(24)25)26-15-6-4-13(5-7-15)18(23)21-14-3-2-8-19-10-14/h2-11H,1H3,(H,21,23)
InChIKeyYWIGLKDQDBMFFU-UHFFFAOYSA-N
XLogP3.74
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-(4-nitrophenoxy)-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607215
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107672545
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
CID 47401859
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
4-fluoro-N-(4-nitro-3-pyridin-3-yloxyphenyl)benzamide
CID 69092508
N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
CID 133329243
[4-(phenylcarbamoyl)phenyl] 4-methyl-3-nitrobenzoate
CID 19181385
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide (CID 133328894) is 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide is Cc1cc(Oc2ccc(C(=O)Nc3cccnc3)cc2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide?
The InChIKey is YWIGLKDQDBMFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-12-9-17(20-11-16(12)22(24)25)26-15-6-4-13(5-7-15)18(23)21-14-3-2-8-19-10-14/h2-11H,1H3,(H,21,23).
What are the key properties of 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide?
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide has a molecular weight of 350.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 133328894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).