6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine

C12H19N3O3 — CID 113286768

IUPAC6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCCCC(C)C)n1
InChIInChI=1S/C12H19N3O3/c1-9(2)5-4-8-13-12-10(15(16)17)6-7-11(14-12)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyZRFRUWCXRRZFRJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.85
Rot. Bonds7

About 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine

6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine (PubChem CID 113286768) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
PubChem CID113286768
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCCCC(C)C)n1
InChIInChI=1S/C12H19N3O3/c1-9(2)5-4-8-13-12-10(15(16)17)6-7-11(14-12)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyZRFRUWCXRRZFRJ-UHFFFAOYSA-N
XLogP2.85
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 70453186
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770
6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
CID 107818912
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine (CID 113286768) is 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCCCC(C)C)n1.
What is the InChIKey of 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine?
The InChIKey is ZRFRUWCXRRZFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)5-4-8-13-12-10(15(16)17)6-7-11(14-12)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine?
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 113286768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).