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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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-nitro-9H-pyrido[3,4-b]indole
CID 4713455
5-Fluoro-2-((4-(2-pyridinyl)-1-piperazinyl)methyl)-1H-indole
CID 9796720
N-benzyl-9H-beta-carbolin-3-amine
CID 14146439
Kribb11
CID 69894253
N-butyl-9H-beta-carbolin-3-amine
CID 101402473
N~3~-(3-(1H-Indol-6-YL)benzyl)pyridine-2,3-diamine
CID 11507920
N,N-dimethyl-4-(5-nitro-1H-indol-3-yl)cyclohex-3-enamine
CID 44430852
N-(2,6-dimethylbenzyl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine
CID 46879490
CP 124439
CID 5492087

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).