N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide

C20H17N3O5 — CID 55764079

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C20H17N3O5/c1-13-16(5-3-7-18(13)23(25)26)19(24)22-17-6-4-12-21-20(17)28-15-10-8-14(27-2)9-11-15/h3-12H,1-2H3,(H,22,24)
InChIKeyVSDDGOKLYJFBAZ-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide (PubChem CID 55764079) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide
PubChem CID55764079
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C20H17N3O5/c1-13-16(5-3-7-18(13)23(25)26)19(24)22-17-6-4-12-21-20(17)28-15-10-8-14(27-2)9-11-15/h3-12H,1-2H3,(H,22,24)
InChIKeyVSDDGOKLYJFBAZ-UHFFFAOYSA-N
XLogP4.35
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.35
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

2-bromo-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55764139
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
2-chloro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylsulfonylbenzamide
CID 55763392
2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 18190907
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpyridine-3-carboxamide
CID 15293871
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
N-(3-acetamido-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 33241731
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 55661369
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide (CID 55764079) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide is COc1ccc(Oc2ncccc2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide?
The InChIKey is VSDDGOKLYJFBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-13-16(5-3-7-18(13)23(25)26)19(24)22-17-6-4-12-21-20(17)28-15-10-8-14(27-2)9-11-15/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide has a molecular weight of 379.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 55764079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).