2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine

C15H14N4O2 — CID 174864199

IUPAC2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine
SMILESCCc1cc2c(Nc3cccnc3)ccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-10-8-12-13(17-11-4-3-7-16-9-11)5-6-14(19(20)21)15(12)18-10/h3-9,17-18H,2H2,1H3
InChIKeyZJRFCAITZCWUQW-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.78
Rot. Bonds4

About 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine

2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine (PubChem CID 174864199) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine.

Molecular Properties

Compound Name2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine
PubChem CID174864199
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine
SMILESCCc1cc2c(Nc3cccnc3)ccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H14N4O2/c1-2-10-8-12-13(17-11-4-3-7-16-9-11)5-6-14(19(20)21)15(12)18-10/h3-9,17-18H,2H2,1H3
InChIKeyZJRFCAITZCWUQW-UHFFFAOYSA-N
XLogP3.78
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-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

N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 58459332
ethyl formate;7-nitro-N-pyridin-3-yl-1H-indol-4-amine
CID 174864172
3-N-[2-(4-methylanilino)phenyl]-4,6-dinitro-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 71504070
3-nitro-4-(pyridin-3-ylamino)benzonitrile
CID 58408467
1-[7-nitro-4-(pyridin-3-ylamino)-1H-indol-3-yl]ethyl formate
CID 174864169
ethyl 7-nitro-4-(3-nitroanilino)-1H-indole-2-carboxylate
CID 141488484
ethyl 7-nitro-4-[3-(trifluoromethoxy)anilino]-1H-indole-2-carboxylate
CID 141488772
2-ethyl-4-nitro-1H-indole
CID 13047994
7-nitro-4-[3-(trifluoromethoxy)anilino]-1H-indole-2-carboxylic acid
CID 141488777
4-(3-cyanoanilino)-7-nitro-1H-indole-2-carboxylic acid
CID 141488774
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
ethyl 4-(2-chloroanilino)-7-nitro-1H-indole-2-carboxylate
CID 141488806

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine?
The IUPAC name of 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine (CID 174864199) is 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine.
What is the SMILES notation for 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine?
The canonical SMILES for 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine is CCc1cc2c(Nc3cccnc3)ccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine?
The InChIKey is ZJRFCAITZCWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-10-8-12-13(17-11-4-3-7-16-9-11)5-6-14(19(20)21)15(12)18-10/h3-9,17-18H,2H2,1H3.
What are the key properties of 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine?
2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine has a molecular weight of 282.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-nitro-N-pyridin-3-yl-1H-indol-4-amine is sourced from PubChem (CID 174864199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).