2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine

C14H16N4O3 — CID 71523739

IUPAC2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(N(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C14H16N4O3/c1-15-13-9-8-12(18(19)20)14(16-13)17(2)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H,15,16)
InChIKeyMZLSZEFQDYCYFE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.81
Rot. Bonds5

About 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine

2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine (PubChem CID 71523739) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
PubChem CID71523739
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(N(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C14H16N4O3/c1-15-13-9-8-12(18(19)20)14(16-13)17(2)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H,15,16)
InChIKeyMZLSZEFQDYCYFE-UHFFFAOYSA-N
XLogP2.81
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.81
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 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine 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

2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 80810495
3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
CID 80753426
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80834593
2-N-[(4-bromophenyl)methyl]-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80777619
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
2-N,6-N-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80812701
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine
CID 80900384
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine (CID 71523739) is 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(N(C)c2ccc(OC)cc2)n1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
The InChIKey is MZLSZEFQDYCYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-15-13-9-8-12(18(19)20)14(16-13)17(2)10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H,15,16).
What are the key properties of 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine has a molecular weight of 288.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 71523739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).