N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline

C14H15N3O3 — CID 47279209

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
SMILESCOc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)cn1
InChIInChI=1S/C14H15N3O3/c1-10-7-12(4-5-13(10)17(18)19)15-8-11-3-6-14(20-2)16-9-11/h3-7,9,15H,8H2,1-2H3
InChIKeyNALIWBFKJBXBGW-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.92
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline

N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline (PubChem CID 47279209) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
PubChem CID47279209
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
SMILESCOc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)cn1
InChIInChI=1S/C14H15N3O3/c1-10-7-12(4-5-13(10)17(18)19)15-8-11-3-6-14(20-2)16-9-11/h3-7,9,15H,8H2,1-2H3
InChIKeyNALIWBFKJBXBGW-UHFFFAOYSA-N
XLogP2.92
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-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

6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 19874084
3-methyl-4-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 60876177
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
N-[(3-methoxyphenyl)methyl]-3-methyl-4-nitroaniline
CID 47264174
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 119124814
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-4-nitroaniline
CID 78982385
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine
CID 178077999
1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 28712735

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline (CID 47279209) is N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline is COc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline?
The InChIKey is NALIWBFKJBXBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-7-12(4-5-13(10)17(18)19)15-8-11-3-6-14(20-2)16-9-11/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline?
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline has a molecular weight of 273.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline is sourced from PubChem (CID 47279209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).