2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide

C22H17BrN4O3 — CID 46490653

IUPAC2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C22H17BrN4O3/c23-15-5-3-6-16(12-15)30-22-18(8-4-10-24-22)21(29)27-26-20(28)11-14-13-25-19-9-2-1-7-17(14)19/h1-10,12-13,25H,11H2,(H,26,28)(H,27,29)
InChIKeyHQQCTBHVMKSKKH-UHFFFAOYSA-N
MW465.31 g/mol
LogP4.12
Rot. Bonds5

About 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide

2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide (PubChem CID 46490653) has the molecular formula C22H17BrN4O3 and a molecular weight of 465.31 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
PubChem CID46490653
Molecular FormulaC22H17BrN4O3
Molecular Weight465.31 g/mol
Exact Mass464.05
IUPAC Name2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C22H17BrN4O3/c23-15-5-3-6-16(12-15)30-22-18(8-4-10-24-22)21(29)27-26-20(28)11-14-13-25-19-9-2-1-7-17(14)19/h1-10,12-13,25H,11H2,(H,26,28)(H,27,29)
InChIKeyHQQCTBHVMKSKKH-UHFFFAOYSA-N
XLogP4.12
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
6-chloro-N'-[2-(1H-indol-3-yl)acetyl]quinoline-8-carbohydrazide
CID 55881068
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide
CID 55559275
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide
CID 78875469
[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide (CID 46490653) is 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccnc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
The InChIKey is HQQCTBHVMKSKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O3/c23-15-5-3-6-16(12-15)30-22-18(8-4-10-24-22)21(29)27-26-20(28)11-14-13-25-19-9-2-1-7-17(14)19/h1-10,12-13,25H,11H2,(H,26,28)(H,27,29).
What are the key properties of 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide?
2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide has a molecular weight of 465.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 46490653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).