5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide

C18H21N3O7 — CID 24613247

IUPAC5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
SMILESCOCCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC)nc2)cc1OC
InChIInChI=1S/C18H21N3O7/c1-25-6-7-28-16-9-14(21(23)24)13(8-15(16)26-2)18(22)20-11-12-4-5-17(27-3)19-10-12/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,22)
InChIKeyAMTWHZNRYPTZLH-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.96
Rot. Bonds10

About 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide

5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide (PubChem CID 24613247) has the molecular formula C18H21N3O7 and a molecular weight of 391.38 g/mol. Its IUPAC name is 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
PubChem CID24613247
Molecular FormulaC18H21N3O7
Molecular Weight391.38 g/mol
Exact Mass391.14
IUPAC Name5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
SMILESCOCCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC)nc2)cc1OC
InChIInChI=1S/C18H21N3O7/c1-25-6-7-28-16-9-14(21(23)24)13(8-15(16)26-2)18(22)20-11-12-4-5-17(27-3)19-10-12/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,22)
InChIKeyAMTWHZNRYPTZLH-UHFFFAOYSA-N
XLogP1.96
TPSA122.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 16962072
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55621197
N-[(4-butoxy-3-methoxyphenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55706342
N-[(6-methoxy-3-pyridinyl)methyl]-5-methylsulfanyl-2-nitrobenzamide
CID 51306207
4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
CID 55539218
5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
CID 24563160
N-[(5-bromothiophen-2-yl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 33171938
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 26953131
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-nitrobenzamide
CID 51316838
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 46664855

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide?
The IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide (CID 24613247) is 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide is COCCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC)nc2)cc1OC.
What is the InChIKey of 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide?
The InChIKey is AMTWHZNRYPTZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O7/c1-25-6-7-28-16-9-14(21(23)24)13(8-15(16)26-2)18(22)20-11-12-4-5-17(27-3)19-10-12/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,22).
What are the key properties of 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide?
5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide has a molecular weight of 391.38 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 24613247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).