N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide

C20H16N6 — CID 135804010

IUPACN'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide
SMILESc1ccc(N/N=C(\N=N\c2ccccn2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N6/c1-2-8-15(9-3-1)23-25-20(26-24-19-12-6-7-13-21-19)17-14-22-18-11-5-4-10-16(17)18/h1-14,22-23H/b25-20-,26-24+
InChIKeySKKQXLRMROMJGX-BXKDVNMISA-N
MW340.39 g/mol
LogP5.12
Rot. Bonds4

About N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide

N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide (PubChem CID 135804010) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide.

Molecular Properties

Compound NameN'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide
PubChem CID135804010
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC NameN'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide
SMILESc1ccc(N/N=C(\N=N\c2ccccn2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H16N6/c1-2-8-15(9-3-1)23-25-20(26-24-19-12-6-7-13-21-19)17-14-22-18-11-5-4-10-16(17)18/h1-14,22-23H/b25-20-,26-24+
InChIKeySKKQXLRMROMJGX-BXKDVNMISA-N
XLogP5.12
TPSA77.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide?
The IUPAC name of N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide (CID 135804010) is N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide.
What is the SMILES notation for N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide?
The canonical SMILES for N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide is c1ccc(N/N=C(\N=N\c2ccccn2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide?
The InChIKey is SKKQXLRMROMJGX-BXKDVNMISA-N. The full InChI is InChI=1S/C20H16N6/c1-2-8-15(9-3-1)23-25-20(26-24-19-12-6-7-13-21-19)17-14-22-18-11-5-4-10-16(17)18/h1-14,22-23H/b25-20-,26-24+.
What are the key properties of N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide?
N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide has a molecular weight of 340.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide is sourced from PubChem (CID 135804010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).