N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine

C13H20N4O3 — CID 80844959

IUPACN-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCC(COC)C2)n1
InChIInChI=1S/C13H20N4O3/c1-3-14-12-5-4-11(17(18)19)13(15-12)16-7-6-10(8-16)9-20-2/h4-5,10H,3,6-9H2,1-2H3,(H,14,15)
InChIKeyQAFRHBTUQWLGIG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds6

About N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine

N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine (PubChem CID 80844959) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
PubChem CID80844959
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCC(COC)C2)n1
InChIInChI=1S/C13H20N4O3/c1-3-14-12-5-4-11(17(18)19)13(15-12)16-7-6-10(8-16)9-20-2/h4-5,10H,3,6-9H2,1-2H3,(H,14,15)
InChIKeyQAFRHBTUQWLGIG-UHFFFAOYSA-N
XLogP1.89
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
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'}

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Related Compounds

6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
2,6-bis[(3S)-3-(methoxymethyl)piperidin-1-yl]-3-nitropyridine
CID 99794916
6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80778654
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404163
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine?
The IUPAC name of N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine (CID 80844959) is N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(N2CCC(COC)C2)n1.
What is the InChIKey of N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine?
The InChIKey is QAFRHBTUQWLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-14-12-5-4-11(17(18)19)13(15-12)16-7-6-10(8-16)9-20-2/h4-5,10H,3,6-9H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine?
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine is sourced from PubChem (CID 80844959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).