3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide

C15H15N3O6 — CID 51045015

IUPAC3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])nc2)cc(OC)c1OC
InChIInChI=1S/C15H15N3O6/c1-22-11-6-9(7-12(23-2)14(11)24-3)15(19)17-10-4-5-13(16-8-10)18(20)21/h4-8H,1-3H3,(H,17,19)
InChIKeyZPDBYUINLHZRLN-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.27
Rot. Bonds6

About 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide

3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide (PubChem CID 51045015) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
PubChem CID51045015
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])nc2)cc(OC)c1OC
InChIInChI=1S/C15H15N3O6/c1-22-11-6-9(7-12(23-2)14(11)24-3)15(19)17-10-4-5-13(16-8-10)18(20)21/h4-8H,1-3H3,(H,17,19)
InChIKeyZPDBYUINLHZRLN-UHFFFAOYSA-N
XLogP2.27
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-6-nitropyridine-3-carboxamide
CID 90290210
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
CID 3705652
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
methyl 4-[(6-nitro-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118419661
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide (CID 51045015) is 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide is COc1cc(C(=O)Nc2ccc([N+](=O)[O-])nc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide?
The InChIKey is ZPDBYUINLHZRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-22-11-6-9(7-12(23-2)14(11)24-3)15(19)17-10-4-5-13(16-8-10)18(20)21/h4-8H,1-3H3,(H,17,19).
What are the key properties of 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide?
3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide has a molecular weight of 333.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide is sourced from PubChem (CID 51045015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).