1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol

C12H18N4O3 — CID 103358849

IUPAC1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCC(C)(O)C2)n1
InChIInChI=1S/C12H18N4O3/c1-3-13-10-5-4-9(16(18)19)11(14-10)15-7-6-12(2,17)8-15/h4-5,17H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyPHKBPGBTMVFUSD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.38
Rot. Bonds4

About 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol

1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358849) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
PubChem CID103358849
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCC(C)(O)C2)n1
InChIInChI=1S/C12H18N4O3/c1-3-13-10-5-4-9(16(18)19)11(14-10)15-7-6-12(2,17)8-15/h4-5,17H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyPHKBPGBTMVFUSD-UHFFFAOYSA-N
XLogP1.38
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-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-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 103356433
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80913752
N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide
CID 106322383
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol
CID 103764802
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol (CID 103358849) is 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol is CCNc1ccc([N+](=O)[O-])c(N2CCC(C)(O)C2)n1.
What is the InChIKey of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The InChIKey is PHKBPGBTMVFUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-13-10-5-4-9(16(18)19)11(14-10)15-7-6-12(2,17)8-15/h4-5,17H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol?
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol has a molecular weight of 266.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).