N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C11H19ClN4O3 — CID 70453186

IUPACN-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])c(NCCCN(C)C)n1.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-14(2)8-4-7-12-11-9(15(16)17)5-6-10(13-11)18-3;/h5-6H,4,7-8H2,1-3H3,(H,12,13);1H
InChIKeyOZJRDMNQLIQNNG-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.78
Rot. Bonds7

About N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 70453186) has the molecular formula C11H19ClN4O3 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID70453186
Molecular FormulaC11H19ClN4O3
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC NameN-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])c(NCCCN(C)C)n1.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-14(2)8-4-7-12-11-9(15(16)17)5-6-10(13-11)18-3;/h5-6H,4,7-8H2,1-3H3,(H,12,13);1H
InChIKeyOZJRDMNQLIQNNG-UHFFFAOYSA-N
XLogP1.78
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 103739551
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 70453186) is N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is COc1ccc([N+](=O)[O-])c(NCCCN(C)C)n1.Cl.
What is the InChIKey of N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is OZJRDMNQLIQNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3.ClH/c1-14(2)8-4-7-12-11-9(15(16)17)5-6-10(13-11)18-3;/h5-6H,4,7-8H2,1-3H3,(H,12,13);1H.
What are the key properties of N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 70453186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).