2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine

C16H16N6O2 — CID 100574593

IUPAC2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine
SMILESN/C(=N\CCc1c[nH]c2ccccc12)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N6O2/c17-16(21-15-14(22(23)24)6-3-8-18-15)19-9-7-11-10-20-13-5-2-1-4-12(11)13/h1-6,8,10,20H,7,9H2,(H3,17,18,19,21)
InChIKeyATCXYSIKXLZOHP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine

2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine (PubChem CID 100574593) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine
PubChem CID100574593
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine
SMILESN/C(=N\CCc1c[nH]c2ccccc12)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N6O2/c17-16(21-15-14(22(23)24)6-3-8-18-15)19-9-7-11-10-20-13-5-2-1-4-12(11)13/h1-6,8,10,20H,7,9H2,(H3,17,18,19,21)
InChIKeyATCXYSIKXLZOHP-UHFFFAOYSA-N
XLogP2.44
TPSA122.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine 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

2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine
CID 100574653
1-(3-nitro-2-pyridinyl)-2-(pyridin-2-ylmethyl)guanidine
CID 100575102
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
2-[2-(1H-indol-3-yl)ethyl]-1-(2-sulfanylidene-3H-[1,3,2]oxazaphospholo[4,5-b]pyridin-2-yl)guanidine
CID 71530357
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-nitropyridin-2-amine
CID 9112683
4-chloro-N-[N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 2950550
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720624
2-(1H-indol-3-yl)-N-[(2-nitrophenyl)methyl]ethanamine;hydrobromide
CID 75531274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine (CID 100574593) is 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine is N/C(=N\CCc1c[nH]c2ccccc12)Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine?
The InChIKey is ATCXYSIKXLZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c17-16(21-15-14(22(23)24)6-3-8-18-15)19-9-7-11-10-20-13-5-2-1-4-12(11)13/h1-6,8,10,20H,7,9H2,(H3,17,18,19,21).
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine?
2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine has a molecular weight of 324.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-1-(3-nitro-2-pyridinyl)guanidine is sourced from PubChem (CID 100574593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).