6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine

C12H19N3O3 — CID 79883263

IUPAC6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
SMILESCCC(Nc1nc(OC)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H19N3O3/c1-5-9(8(2)3)13-12-10(15(16)17)6-7-11(14-12)18-4/h6-9H,5H2,1-4H3,(H,13,14)
InChIKeyOXGVUWDHODYNML-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.84
Rot. Bonds6

About 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine

6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine (PubChem CID 79883263) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
PubChem CID79883263
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
SMILESCCC(Nc1nc(OC)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H19N3O3/c1-5-9(8(2)3)13-12-10(15(16)17)6-7-11(14-12)18-4/h6-9H,5H2,1-4H3,(H,13,14)
InChIKeyOXGVUWDHODYNML-UHFFFAOYSA-N
XLogP2.84
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.84
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

2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine
CID 115682000
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine (CID 79883263) is 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine is CCC(Nc1nc(OC)ccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
The InChIKey is OXGVUWDHODYNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-9(8(2)3)13-12-10(15(16)17)6-7-11(14-12)18-4/h6-9H,5H2,1-4H3,(H,13,14).
What are the key properties of 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 79883263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).