6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol

C12H19N3O3 — CID 103918195

IUPAC6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
SMILESCc1ccc([N+](=O)[O-])c(NCCCCCCO)n1
InChIInChI=1S/C12H19N3O3/c1-10-6-7-11(15(17)18)12(14-10)13-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyDHQADEBTPKBMOV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.26
Rot. Bonds8

About 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol

6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol (PubChem CID 103918195) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
PubChem CID103918195
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
SMILESCc1ccc([N+](=O)[O-])c(NCCCCCCO)n1
InChIInChI=1S/C12H19N3O3/c1-10-6-7-11(15(17)18)12(14-10)13-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyDHQADEBTPKBMOV-UHFFFAOYSA-N
XLogP2.26
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
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'}

Analyze 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189
formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 175490837
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
N-[3-(cyclopropylmethoxy)propyl]-6-methyl-3-nitropyridin-2-amine
CID 103779538
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 115715261
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
1-(1,3-dihydroisoindol-2-yl)-4-[(6-methyl-3-nitro-2-pyridinyl)amino]butan-1-one
CID 133388784

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol (CID 103918195) is 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol is Cc1ccc([N+](=O)[O-])c(NCCCCCCO)n1.
What is the InChIKey of 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol?
The InChIKey is DHQADEBTPKBMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-10-6-7-11(15(17)18)12(14-10)13-8-4-2-3-5-9-16/h6-7,16H,2-5,8-9H2,1H3,(H,13,14).
What are the key properties of 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol?
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol has a molecular weight of 253.30 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 103918195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).