6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine

C9H12N4O3 — CID 168931998

IUPAC6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine
SMILESCCC=NNc1ccc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C9H12N4O3/c1-3-6-10-12-8-5-4-7(13(14)15)9(11-8)16-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyJGLQDMJMHCBKBP-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.81
Rot. Bonds5

About 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine

6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine (PubChem CID 168931998) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine
PubChem CID168931998
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine
SMILESCCC=NNc1ccc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C9H12N4O3/c1-3-6-10-12-8-5-4-7(13(14)15)9(11-8)16-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyJGLQDMJMHCBKBP-UHFFFAOYSA-N
XLogP1.81
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 69485063
2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine
CID 130268947
6-methoxy-5-nitropyridine-2-carboxamide
CID 55252610
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine
CID 80876882
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine?
The IUPAC name of 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine (CID 168931998) is 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine?
The canonical SMILES for 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine is CCC=NNc1ccc([N+](=O)[O-])c(OC)n1.
What is the InChIKey of 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine?
The InChIKey is JGLQDMJMHCBKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-3-6-10-12-8-5-4-7(13(14)15)9(11-8)16-2/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine?
6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine has a molecular weight of 224.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine is sourced from PubChem (CID 168931998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).