3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine

C17H19N5O2 — CID 10381677

IUPAC3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
SMILESCN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc12
InChIInChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
InChIKeySZQUYNBBTURBHB-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.32
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine

3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine (PubChem CID 10381677) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
PubChem CID10381677
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine
SMILESCN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc12
InChIInChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
InChIKeySZQUYNBBTURBHB-UHFFFAOYSA-N
XLogP3.32
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.32
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-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine (CID 10381677) is 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine is CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
The InChIKey is SZQUYNBBTURBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20).
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine?
3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine has a molecular weight of 325.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine is sourced from PubChem (CID 10381677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).