N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine

C10H14N4O2 — CID 115300967

IUPACN-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
SMILESCNC1CCN(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C10H14N4O2/c1-11-8-3-5-13(7-8)9-2-4-12-6-10(9)14(15)16/h2,4,6,8,11H,3,5,7H2,1H3
InChIKeyJSZXWDUHMQUMHL-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.79
Rot. Bonds3

About N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine

N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine (PubChem CID 115300967) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
PubChem CID115300967
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
SMILESCNC1CCN(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C10H14N4O2/c1-11-8-3-5-13(7-8)9-2-4-12-6-10(9)14(15)16/h2,4,6,8,11H,3,5,7H2,1H3
InChIKeyJSZXWDUHMQUMHL-UHFFFAOYSA-N
XLogP0.79
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
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'}

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Related Compounds

[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
3-(3-nitro-4-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314559
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
1-(2,4-dinitrophenyl)-N-methylpyrrolidin-3-amine
CID 115300843
N-[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
CID 144796860
1-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]ethanol
CID 113234220
2-[4-fluoro-1-(3-nitro-4-pyridinyl)piperidin-3-yl]isoindole-1,3-dione
CID 77419824
1-(3-nitro-4-pyridinyl)piperidin-4-one
CID 28889589
2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308
2-methyl-2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]propanoic acid
CID 83199130
1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 104839441
[4-(3-nitro-4-pyridinyl)morpholin-2-yl]methanamine
CID 114399426

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine (CID 115300967) is N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine is CNC1CCN(c2ccncc2[N+](=O)[O-])C1.
What is the InChIKey of N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine?
The InChIKey is JSZXWDUHMQUMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-11-8-3-5-13(7-8)9-2-4-12-6-10(9)14(15)16/h2,4,6,8,11H,3,5,7H2,1H3.
What are the key properties of N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine?
N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine has a molecular weight of 222.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 115300967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).