6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid

C12H17N3O5 — CID 115321178

IUPAC6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
SMILESCOc1ccc([N+](=O)[O-])c(NCCCCCC(=O)O)n1
InChIInChI=1S/C12H17N3O5/c1-20-10-7-6-9(15(18)19)12(14-10)13-8-4-2-3-5-11(16)17/h6-7H,2-5,8H2,1H3,(H,13,14)(H,16,17)
InChIKeyGMQLZPVWKHXEDX-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.06
Rot. Bonds9

About 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid

6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid (PubChem CID 115321178) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
PubChem CID115321178
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
SMILESCOc1ccc([N+](=O)[O-])c(NCCCCCC(=O)O)n1
InChIInChI=1S/C12H17N3O5/c1-20-10-7-6-9(15(18)19)12(14-10)13-8-4-2-3-5-11(16)17/h6-7H,2-5,8H2,1H3,(H,13,14)(H,16,17)
InChIKeyGMQLZPVWKHXEDX-UHFFFAOYSA-N
XLogP2.06
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
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

methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
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]butanamide
CID 113286764
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
4-[(6-bromo-3-nitro-2-pyridinyl)amino]butanoic acid
CID 146560512
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 70453186

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid?
The IUPAC name of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid (CID 115321178) is 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid is COc1ccc([N+](=O)[O-])c(NCCCCCC(=O)O)n1.
What is the InChIKey of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid?
The InChIKey is GMQLZPVWKHXEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-20-10-7-6-9(15(18)19)12(14-10)13-8-4-2-3-5-11(16)17/h6-7H,2-5,8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid?
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid has a molecular weight of 283.28 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 115321178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).