5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol

C11H17N3O3 — CID 107269289

IUPAC5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
SMILESCc1cnc(NCCCC(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O3/c1-8-6-10(14(16)17)11(13-7-8)12-5-3-4-9(2)15/h6-7,9,15H,3-5H2,1-2H3,(H,12,13)
InChIKeySYQHGDQHGMHXBC-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.87
Rot. Bonds6

About 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol

5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol (PubChem CID 107269289) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
PubChem CID107269289
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
SMILESCc1cnc(NCCCC(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O3/c1-8-6-10(14(16)17)11(13-7-8)12-5-3-4-9(2)15/h6-7,9,15H,3-5H2,1-2H3,(H,12,13)
InChIKeySYQHGDQHGMHXBC-UHFFFAOYSA-N
XLogP1.87
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
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-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
CID 106136487
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol (CID 107269289) is 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol is Cc1cnc(NCCCC(C)O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is SYQHGDQHGMHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-6-10(14(16)17)11(13-7-8)12-5-3-4-9(2)15/h6-7,9,15H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 107269289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).