5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine

C14H15N3O4 — CID 103202259

IUPAC5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(COc2ccc(OC)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C14H15N3O4/c1-15-14-6-3-10(8-16-14)9-21-11-4-5-13(20-2)12(7-11)17(18)19/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyQUVCYCLAUCWBOP-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.62
Rot. Bonds6

About 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine

5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 103202259) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID103202259
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(COc2ccc(OC)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C14H15N3O4/c1-15-14-6-3-10(8-16-14)9-21-11-4-5-13(20-2)12(7-11)17(18)19/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyQUVCYCLAUCWBOP-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-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine 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-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 104832417
4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 103202251
3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634
2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 79790004
4-[(3,5-dimethylphenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 60772192
5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine
CID 75498230
N-methyl-5-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62193963
N-methyl-2-nitro-4-(pyridin-4-ylmethoxy)aniline
CID 66623516
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
CID 78978484
5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 103201880
6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
CID 103202243

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine (CID 103202259) is 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine is CNc1ccc(COc2ccc(OC)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is QUVCYCLAUCWBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-15-14-6-3-10(8-16-14)9-21-11-4-5-13(20-2)12(7-11)17(18)19/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine 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-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 103202259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).