4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide

C14H13N3O4 — CID 873142

IUPAC4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c1-21-13-6-5-10(8-12(13)17(19)20)14(18)16-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyKUXQBVAFZUBAAL-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.93
Rot. Bonds5

About 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide

4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 873142) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID873142
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c1-21-13-6-5-10(8-12(13)17(19)20)14(18)16-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyKUXQBVAFZUBAAL-UHFFFAOYSA-N
XLogP1.93
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.93
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

4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
N-{4-[(4-Hydroxy-3-Nitrobenzoyl)amino]phenyl}pyridine-2-Carboxamide
CID 78673833
4-ethoxy-3-nitro-N-[(2-pyridinylamino)carbonothioyl]benzamide
CID 883217
4-methoxy-3-nitro-N-pyridin-4-ylbenzamide
CID 873067
1-(4-Methoxy-3-nitrobenzoyl)-4-(2-pyridinyl)piperazine
CID 888155
4-methoxy-3-nitro-N-(pyrazin-2-yl)benzamide
CID 1245736
4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
CID 2568535
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide
CID 5087025
N-[3-(4-Methoxy-benzoylamino)-propyl]-6-methyl-nicotinamide
CID 6498656
4-(3-chloropropoxy)-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3-nitrobenzamide
CID 146615277
N-(2-methoxyphenyl)isonicotinamide 1-oxide
CID 786463

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 873142) is 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is KUXQBVAFZUBAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-13-6-5-10(8-12(13)17(19)20)14(18)16-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide?
4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 873142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).