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

C16H20N4O3 — CID 67995867

IUPAC2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine
SMILESCOc1ccc(Nc2nc(NCC(C)C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H20N4O3/c1-11(2)10-17-15-9-8-14(20(21)22)16(19-15)18-12-4-6-13(23-3)7-5-12/h4-9,11H,10H2,1-3H3,(H2,17,18,19)
InChIKeyFZZSGYZKQAWTSM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.81
Rot. Bonds7

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

2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine (PubChem CID 67995867) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine
PubChem CID67995867
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine
SMILESCOc1ccc(Nc2nc(NCC(C)C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H20N4O3/c1-11(2)10-17-15-9-8-14(20(21)22)16(19-15)18-12-4-6-13(23-3)7-5-12/h4-9,11H,10H2,1-3H3,(H2,17,18,19)
InChIKeyFZZSGYZKQAWTSM-UHFFFAOYSA-N
XLogP3.81
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-N-(4-methoxyphenyl)-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 67995503
3-fluoro-1-[4-[[6-(2-methylpropylamino)-3-nitro-2-pyridinyl]amino]phenyl]piperidine-4-carboxamide
CID 140572175
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
CID 2783708
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
methyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]benzoate
CID 171495729
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
CID 88886091
CID 88886091
6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
CID 80805285

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine (CID 67995867) is 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine is COc1ccc(Nc2nc(NCC(C)C)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine?
The InChIKey is FZZSGYZKQAWTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(2)10-17-15-9-8-14(20(21)22)16(19-15)18-12-4-6-13(23-3)7-5-12/h4-9,11H,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine?
2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine has a molecular weight of 316.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 67995867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).