N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine

C10H15N3O3 — CID 102698850

IUPACN-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
SMILESCOC(C)CNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(16-3)6-11-10-5-4-9(13(14)15)8(2)12-10/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyYFIQUUAGYKKFPG-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.75
Rot. Bonds5

About N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine

N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 102698850) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
PubChem CID102698850
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
SMILESCOC(C)CNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(16-3)6-11-10-5-4-9(13(14)15)8(2)12-10/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyYFIQUUAGYKKFPG-UHFFFAOYSA-N
XLogP1.75
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.75
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'}

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Related Compounds

1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 133361606
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
N-(2-methoxypropyl)-5-methyl-2-nitroaniline
CID 102698941
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
[6-(2-methoxypropylamino)-2-methyl-3-pyridinyl]methanol
CID 102700325
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine (CID 102698850) is N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine is COC(C)CNc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is YFIQUUAGYKKFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(16-3)6-11-10-5-4-9(13(14)15)8(2)12-10/h4-5,7H,6H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine?
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 102698850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).