4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol

C11H17N3O3 — CID 103703895

IUPAC4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
SMILESCC(C)C(CCO)Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-8(2)9(4-6-15)13-10-3-5-12-7-11(10)14(16)17/h3,5,7-9,15H,4,6H2,1-2H3,(H,12,13)
InChIKeyHJIZRACETYTZGN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.81
Rot. Bonds6

About 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol

4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol (PubChem CID 103703895) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
PubChem CID103703895
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
SMILESCC(C)C(CCO)Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-8(2)9(4-6-15)13-10-3-5-12-7-11(10)14(16)17/h3,5,7-9,15H,4,6H2,1-2H3,(H,12,13)
InChIKeyHJIZRACETYTZGN-UHFFFAOYSA-N
XLogP1.81
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-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

4-methyl-3-[(8-nitroisoquinolin-5-yl)amino]pentan-1-ol
CID 103696573
4,4-dimethyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 114177080
3-(2,4-dinitroanilino)-4-methylpentan-1-ol
CID 103696574
3-nitro-N-pentan-2-ylpyridin-4-amine
CID 43114081
2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
N-(3-ethylpentan-2-yl)-3-nitropyridin-4-amine
CID 63838871
methyl 3-hydroxy-2-[(3-nitro-4-pyridinyl)amino]propanoate
CID 62005492
N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
CID 54950233
3-[(3-nitro-4-pyridinyl)sulfanyl]butan-1-ol
CID 66136072
3-(4-bromo-5-fluoro-2-nitroanilino)-4-methylpentan-1-ol
CID 106350561
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol (CID 103703895) is 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol is CC(C)C(CCO)Nc1ccncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol?
The InChIKey is HJIZRACETYTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)9(4-6-15)13-10-3-5-12-7-11(10)14(16)17/h3,5,7-9,15H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol?
4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 103703895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).