3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine

C18H19N5O2 — CID 5492087

IUPAC3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
SMILESCN1CCC(c2c[nH]c3ccc(Nc4ncccc4[N+](=O)[O-])cc23)C1
InChIInChI=1S/C18H19N5O2/c1-22-8-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18-17(23(24)25)3-2-7-19-18/h2-5,7,9-10,12,20H,6,8,11H2,1H3,(H,19,21)
InChIKeyGKTWNPQNDWIPDK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.63
Rot. Bonds4

About 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine

3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine (PubChem CID 5492087) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
PubChem CID5492087
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
SMILESCN1CCC(c2c[nH]c3ccc(Nc4ncccc4[N+](=O)[O-])cc23)C1
InChIInChI=1S/C18H19N5O2/c1-22-8-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18-17(23(24)25)3-2-7-19-18/h2-5,7,9-10,12,20H,6,8,11H2,1H3,(H,19,21)
InChIKeyGKTWNPQNDWIPDK-UHFFFAOYSA-N
XLogP3.63
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine (CID 5492087) is 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine is CN1CCC(c2c[nH]c3ccc(Nc4ncccc4[N+](=O)[O-])cc23)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
The InChIKey is GKTWNPQNDWIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-8-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18-17(23(24)25)3-2-7-19-18/h2-5,7,9-10,12,20H,6,8,11H2,1H3,(H,19,21).
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine has a molecular weight of 337.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine is sourced from PubChem (CID 5492087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).