4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide

C20H17N3O5 — CID 55879438

IUPAC4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O5/c1-27-18-9-7-15(11-17(18)23(25)26)20(24)22-16-8-10-19(21-12-16)28-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeyXTNRLVHOHXYKJO-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.83
Rot. Bonds7

About 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide

4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide (PubChem CID 55879438) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide
PubChem CID55879438
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N3O5/c1-27-18-9-7-15(11-17(18)23(25)26)20(24)22-16-8-10-19(21-12-16)28-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,24)
InChIKeyXTNRLVHOHXYKJO-UHFFFAOYSA-N
XLogP3.83
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.83
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-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]acetic acid
CID 891508
ethyl 4-[(3-nitro-4-phenylmethoxybenzoyl)amino]benzoate
CID 66788761
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
2,6-dimethoxy-N-[(6-phenylmethoxy-3-pyridinyl)carbamoyl]benzamide
CID 12912868
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-nitrobenzamide
CID 25396889
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide (CID 55879438) is 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide?
The InChIKey is XTNRLVHOHXYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-18-9-7-15(11-17(18)23(25)26)20(24)22-16-8-10-19(21-12-16)28-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide?
4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide has a molecular weight of 379.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(6-phenylmethoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 55879438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).