N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide

C23H21N5O2 — CID 47047959

IUPACN'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide
SMILESCN(c1ccccc1)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H21N5O2/c1-28(18-7-3-2-4-8-18)21-12-11-16(14-25-21)23(30)27-26-22(29)13-17-15-24-20-10-6-5-9-19(17)20/h2-12,14-15,24H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyOEKGBYWVXQRPMI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.33
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide (PubChem CID 47047959) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide
PubChem CID47047959
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide
SMILESCN(c1ccccc1)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H21N5O2/c1-28(18-7-3-2-4-8-18)21-12-11-16(14-25-21)23(30)27-26-22(29)13-17-15-24-20-10-6-5-9-19(17)20/h2-12,14-15,24H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyOEKGBYWVXQRPMI-UHFFFAOYSA-N
XLogP3.33
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.33
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)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285636
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
6-[benzyl(methyl)amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109156275
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 18269145
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide (CID 47047959) is N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide is CN(c1ccccc1)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide?
The InChIKey is OEKGBYWVXQRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-28(18-7-3-2-4-8-18)21-12-11-16(14-25-21)23(30)27-26-22(29)13-17-15-24-20-10-6-5-9-19(17)20/h2-12,14-15,24H,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-6-(N-methylanilino)pyridine-3-carbohydrazide has a molecular weight of 399.45 g/mol, XLogP of 3.33, 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]-6-(N-methylanilino)pyridine-3-carbohydrazide is sourced from PubChem (CID 47047959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).