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

C22H18N4O3 — CID 31800805

IUPACN'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H18N4O3/c27-20(13-15-14-24-19-11-5-4-9-17(15)19)25-26-21(28)18-10-6-12-23-22(18)29-16-7-2-1-3-8-16/h1-12,14,24H,13H2,(H,25,27)(H,26,28)
InChIKeyONSANIFXHIQIBG-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.36
Rot. Bonds5

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

N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide (PubChem CID 31800805) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
PubChem CID31800805
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H18N4O3/c27-20(13-15-14-24-19-11-5-4-9-17(15)19)25-26-21(28)18-10-6-12-23-22(18)29-16-7-2-1-3-8-16/h1-12,14,24H,13H2,(H,25,27)(H,26,28)
InChIKeyONSANIFXHIQIBG-UHFFFAOYSA-N
XLogP3.36
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.36
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

2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 46490653
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
6-chloro-N'-[2-(1H-indol-3-yl)acetyl]quinoline-8-carbohydrazide
CID 55881068
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 24644217
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46490611
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide (CID 31800805) is N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccnc1Oc1ccccc1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide?
The InChIKey is ONSANIFXHIQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-20(13-15-14-24-19-11-5-4-9-17(15)19)25-26-21(28)18-10-6-12-23-22(18)29-16-7-2-1-3-8-16/h1-12,14,24H,13H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide has a molecular weight of 386.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide is sourced from PubChem (CID 31800805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).