5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol

C11H17N3O3 — CID 107302588

IUPAC5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCc1cc(NCCCCCO)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-9-7-11(12-5-3-2-4-6-15)13-8-10(9)14(16)17/h7-8,15H,2-6H2,1H3,(H,12,13)
InChIKeyCMAQVZGNMYEMMS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.87
Rot. Bonds7

About 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol

5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol (PubChem CID 107302588) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
PubChem CID107302588
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCc1cc(NCCCCCO)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-9-7-11(12-5-3-2-4-6-15)13-8-10(9)14(16)17/h7-8,15H,2-6H2,1H3,(H,12,13)
InChIKeyCMAQVZGNMYEMMS-UHFFFAOYSA-N
XLogP1.87
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.87
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'}

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Related Compounds

4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79176524
2-(4-hydroxybutylamino)-5-nitropyridine-4-carboxylic acid
CID 114089930
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-nitropyridin-2-amine
CID 79176492
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181
2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 79457851
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 79173030
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
6-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 104576591

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol (CID 107302588) is 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol is Cc1cc(NCCCCCO)ncc1[N+](=O)[O-].
What is the InChIKey of 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is CMAQVZGNMYEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-7-11(12-5-3-2-4-6-15)13-8-10(9)14(16)17/h7-8,15H,2-6H2,1H3,(H,12,13).
What are the key properties of 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 107302588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).