3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide

C14H13N3O5 — CID 2931730

IUPAC3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1OC
InChIInChI=1S/C14H13N3O5/c1-21-11-5-3-9(7-12(11)22-2)14(18)16-13-6-4-10(8-15-13)17(19)20/h3-8H,1-2H3,(H,15,16,18)
InChIKeyKGYVWHNYODNIIM-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.26
Rot. Bonds5

About 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide

3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide (PubChem CID 2931730) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
PubChem CID2931730
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1OC
InChIInChI=1S/C14H13N3O5/c1-21-11-5-3-9(7-12(11)22-2)14(18)16-13-6-4-10(8-15-13)17(19)20/h3-8H,1-2H3,(H,15,16,18)
InChIKeyKGYVWHNYODNIIM-UHFFFAOYSA-N
XLogP2.26
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide (CID 2931730) is 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide?
The InChIKey is KGYVWHNYODNIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-21-11-5-3-9(7-12(11)22-2)14(18)16-13-6-4-10(8-15-13)17(19)20/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide?
3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide has a molecular weight of 303.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 2931730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).