3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol

C10H15N3O3S — CID 114071403

IUPAC3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCCNc1cc([N+](=O)[O-])cc(SCCCO)n1
InChIInChI=1S/C10H15N3O3S/c1-2-11-9-6-8(13(15)16)7-10(12-9)17-5-3-4-14/h6-7,14H,2-5H2,1H3,(H,11,12)
InChIKeyAWUAMHUZCQDLPM-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.90
Rot. Bonds7

About 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol

3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol (PubChem CID 114071403) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol
PubChem CID114071403
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCCNc1cc([N+](=O)[O-])cc(SCCCO)n1
InChIInChI=1S/C10H15N3O3S/c1-2-11-9-6-8(13(15)16)7-10(12-9)17-5-3-4-14/h6-7,14H,2-5H2,1H3,(H,11,12)
InChIKeyAWUAMHUZCQDLPM-UHFFFAOYSA-N
XLogP1.90
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-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-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
CID 114071057
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
3-(6-nitroquinolin-2-yl)sulfanylpropan-1-ol
CID 66112713
3-[[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106103503
3-[3-(methylamino)-5-nitrophenyl]sulfanylpropan-1-ol
CID 80890832
6-[3-(ethylamino)-5-nitroanilino]hexan-1-ol
CID 107855192
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
CID 106343389
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol (CID 114071403) is 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol is CCNc1cc([N+](=O)[O-])cc(SCCCO)n1.
What is the InChIKey of 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol?
The InChIKey is AWUAMHUZCQDLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-11-9-6-8(13(15)16)7-10(12-9)17-5-3-4-14/h6-7,14H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol?
3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol has a molecular weight of 257.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol is sourced from PubChem (CID 114071403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).