5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline

C14H15N3O4 — CID 79034228

IUPAC5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])c(NCc2cccnc2OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-11-5-6-13(17(18)19)12(8-11)16-9-10-4-3-7-15-14(10)21-2/h3-8,16H,9H2,1-2H3
InChIKeyJQSXVJPJUGGFIA-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.62
Rot. Bonds6

About 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline

5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline (PubChem CID 79034228) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline.

Molecular Properties

Compound Name5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline
PubChem CID79034228
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline
SMILESCOc1ccc([N+](=O)[O-])c(NCc2cccnc2OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-11-5-6-13(17(18)19)12(8-11)16-9-10-4-3-7-15-14(10)21-2/h3-8,16H,9H2,1-2H3
InChIKeyJQSXVJPJUGGFIA-UHFFFAOYSA-N
XLogP2.62
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.62
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'}

Analyze 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106832752
N-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3-nitroaniline
CID 62912632
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-4-nitroaniline
CID 46604120
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-5-nitropyridin-2-amine
CID 79535598
4-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline
CID 46576642
N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 62102245
2-[(4-methoxy-2-nitroanilino)methyl]phenol
CID 43717858
N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770482
4-methoxy-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 62872795
5-methoxy-2-nitro-N-(4,4,4-trifluorobutyl)aniline
CID 79040625
5-fluoro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 62377280
5-methoxy-2-nitro-N-(3-pyrazol-1-ylpropyl)aniline
CID 115657029

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline?
The IUPAC name of 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline (CID 79034228) is 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline.
What is the SMILES notation for 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline?
The canonical SMILES for 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline is COc1ccc([N+](=O)[O-])c(NCc2cccnc2OC)c1.
What is the InChIKey of 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline?
The InChIKey is JQSXVJPJUGGFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-11-5-6-13(17(18)19)12(8-11)16-9-10-4-3-7-15-14(10)21-2/h3-8,16H,9H2,1-2H3.
What are the key properties of 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline?
5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline has a molecular weight of 289.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline is sourced from PubChem (CID 79034228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).