4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine

C13H14N4O2 — CID 3146301

IUPAC4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H14N4O2/c1-16(2)11-5-3-10(4-6-11)15-13-8-7-12(9-14-13)17(18)19/h3-9H,1-2H3,(H,14,15)
InChIKeyAGZODCUWCYNXLW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.80
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine (PubChem CID 3146301) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine
PubChem CID3146301
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H14N4O2/c1-16(2)11-5-3-10(4-6-11)15-13-8-7-12(9-14-13)17(18)19/h3-9H,1-2H3,(H,14,15)
InChIKeyAGZODCUWCYNXLW-UHFFFAOYSA-N
XLogP2.80
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 71900
CID 71900
CID 81130
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CID 77887
CID 77887
CID 96872
CID 96872
CID 97158
CID 97158
CID 81268
CID 81268
CID 243166
CID 243166
CID 243165
CID 243165
CID 261542
CID 261542
CID 2834447
CID 2834447
CID 77888
CID 77888
CID 2805612
CID 2805612

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine (CID 3146301) is 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine is CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine?
The InChIKey is AGZODCUWCYNXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-16(2)11-5-3-10(4-6-11)15-13-8-7-12(9-14-13)17(18)19/h3-9H,1-2H3,(H,14,15).
What are the key properties of 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine has a molecular weight of 258.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(5-nitro-2-pyridinyl)benzene-1,4-diamine is sourced from PubChem (CID 3146301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).