1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine

C11H16N4O2 — CID 113360794

IUPAC1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2cc([N+](=O)[O-])ccn2)C1
InChIInChI=1S/C11H16N4O2/c1-8(12)9-3-5-14(7-9)11-6-10(15(16)17)2-4-13-11/h2,4,6,8-9H,3,5,7,12H2,1H3
InChIKeySALBAIGVTLAJPL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.16
Rot. Bonds3

About 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine

1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine (PubChem CID 113360794) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
PubChem CID113360794
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2cc([N+](=O)[O-])ccn2)C1
InChIInChI=1S/C11H16N4O2/c1-8(12)9-3-5-14(7-9)11-6-10(15(16)17)2-4-13-11/h2,4,6,8-9H,3,5,7,12H2,1H3
InChIKeySALBAIGVTLAJPL-UHFFFAOYSA-N
XLogP1.16
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.16
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

3-ethyl-1-(4-nitro-2-pyridinyl)piperidin-4-amine
CID 81460791
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
1-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
1-[1-(6-nitro-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 103976849
ethyl 1-(4-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 62006232
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
1-[1-(4-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 58056236
1-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
CID 104540847
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide
CID 103976818
1-[1-(3-ethoxy-5-nitrophenyl)piperidin-4-yl]ethanamine
CID 80744489
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine (CID 113360794) is 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(c2cc([N+](=O)[O-])ccn2)C1.
What is the InChIKey of 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is SALBAIGVTLAJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(12)9-3-5-14(7-9)11-6-10(15(16)17)2-4-13-11/h2,4,6,8-9H,3,5,7,12H2,1H3.
What are the key properties of 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 236.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 113360794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).