3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide

C23H23N3O6 — CID 55881341

IUPAC3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)C(c2ccccc2)c2ccccn2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C23H23N3O6/c1-25(19(15-10-6-5-7-11-15)17-12-8-9-13-24-17)23(27)16-14-18(30-2)21(31-3)22(32-4)20(16)26(28)29/h5-14,19H,1-4H3
InChIKeyQGCXETQSBFEZHJ-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.88
Rot. Bonds8

About 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide

3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 55881341) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID55881341
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)C(c2ccccc2)c2ccccn2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C23H23N3O6/c1-25(19(15-10-6-5-7-11-15)17-12-8-9-13-24-17)23(27)16-14-18(30-2)21(31-3)22(32-4)20(16)26(28)29/h5-14,19H,1-4H3
InChIKeyQGCXETQSBFEZHJ-UHFFFAOYSA-N
XLogP3.88
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
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-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-nitrobenzamide
CID 55588364
3-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 55767493
(3,4-dimethoxy-5-nitrophenyl)-pyridin-2-ylmethanol
CID 21459111
3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 24552848
N-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 94822267
N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide
CID 55767309
N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55779332
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 25489476
N-(2-benzamidophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55923891
N-pyridin-2-yl-1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 55808350
3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
CID 46786337
N-methyl-4-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 51121248

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide (CID 55881341) is 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide is COc1cc(C(=O)N(C)C(c2ccccc2)c2ccccn2)c([N+](=O)[O-])c(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is QGCXETQSBFEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-25(19(15-10-6-5-7-11-15)17-12-8-9-13-24-17)23(27)16-14-18(30-2)21(31-3)22(32-4)20(16)26(28)29/h5-14,19H,1-4H3.
What are the key properties of 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 437.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-methyl-2-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 55881341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).