N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine

C17H17N5 — CID 142880524

IUPACN-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine
SMILESC/C=C\C(/N=N/Nc1ccc2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C17H17N5/c1-2-5-16(15-6-3-4-10-18-15)21-22-20-14-8-7-13-9-11-19-17(13)12-14/h2-12,16,19H,1H3,(H,20,21)/b5-2-
InChIKeyZHYHBASUMCKEHM-DJWKRKHSSA-N
MW291.36 g/mol
LogP4.66
Rot. Bonds5

About N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine

N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine (PubChem CID 142880524) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine.

Molecular Properties

Compound NameN-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine
PubChem CID142880524
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC NameN-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine
SMILESC/C=C\C(/N=N/Nc1ccc2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C17H17N5/c1-2-5-16(15-6-3-4-10-18-15)21-22-20-14-8-7-13-9-11-19-17(13)12-14/h2-12,16,19H,1H3,(H,20,21)/b5-2-
InChIKeyZHYHBASUMCKEHM-DJWKRKHSSA-N
XLogP4.66
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-4-yl-1H-indol-6-amine
CID 19047631
2-[(Z)-2-methylhex-4-en-3-yl]pyridine
CID 170150568
2-[(E)-hex-4-en-3-yl]pyridine
CID 121321190
N-ethoxy-1H-indol-6-amine;dihydrobromide
CID 140506919
N-cyclohexyl-1H-indol-6-amine
CID 139269794
N-(6-tert-butyl-2-pyridinyl)-1H-indol-6-amine
CID 155412230
6-fluoro-1H-indole;quinoline
CID 158890456
N-(1H-indol-6-yl)ethanesulfonamide
CID 110730845
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-indole-6-carboxamide
CID 99840834
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 39310773
1H-indol-6-yl pyridine-2-carboxylate
CID 175845725

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine?
The IUPAC name of N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine (CID 142880524) is N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine.
What is the SMILES notation for N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine?
The canonical SMILES for N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine is C/C=C\C(/N=N/Nc1ccc2cc[nH]c2c1)c1ccccn1.
What is the InChIKey of N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine?
The InChIKey is ZHYHBASUMCKEHM-DJWKRKHSSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-5-16(15-6-3-4-10-18-15)21-22-20-14-8-7-13-9-11-19-17(13)12-14/h2-12,16,19H,1H3,(H,20,21)/b5-2-.
What are the key properties of N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine?
N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine has a molecular weight of 291.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine is sourced from PubChem (CID 142880524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).