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'}

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

Akn-028
CID 44177328
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
3-(((2R)-1-Methyl-2-pyrrolidinyl)methyl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
CID 5487088
3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 10614907
3-nitro-9H-pyrido[3,4-b]indole
CID 4713455
N-benzyl-9H-beta-carbolin-3-amine
CID 14146439
Kribb11
CID 69894253
N-butyl-9H-beta-carbolin-3-amine
CID 101402473
3-(2-Dimethylaminoethyl)-5-(3-nitropyrid-2-ylamino)-1H-indole
CID 10381677
9H-Pyrido(3,4-b)indole, 1-methyl-6-nitro-
CID 5386115
N-Ethyl-9H-beta-carbolin-3-amine
CID 13450926
Benzyl-[(3R,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylmethyl)-1-methyl-pyrrolidin-3-ylmethyl]-methyl-amine
CID 15521385

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).