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

C10H15N3O3 — CID 106842603

IUPAC4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCc1cnc(NCCCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-8-7-12-10(6-9(8)13(15)16)11-4-2-3-5-14/h6-7,14H,2-5H2,1H3,(H,11,12)
InChIKeyVQGRTGDDMNEMFR-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds6

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

4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 106842603) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID106842603
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCc1cnc(NCCCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-8-7-12-10(6-9(8)13(15)16)11-4-2-3-5-14/h6-7,14H,2-5H2,1H3,(H,11,12)
InChIKeyVQGRTGDDMNEMFR-UHFFFAOYSA-N
XLogP1.48
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
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

5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181
2-(4-hydroxybutylamino)-5-nitropyridine-4-carboxylic acid
CID 114089930
N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine
CID 83266871
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol (CID 106842603) is 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol is Cc1cnc(NCCCCO)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is VQGRTGDDMNEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-8-7-12-10(6-9(8)13(15)16)11-4-2-3-5-14/h6-7,14H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 106842603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).