2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide

C21H19N3O — CID 91690132

IUPAC2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O/c1-14-20(21(25)23-22)18-8-4-5-9-19(18)24(14)13-15-10-11-16-6-2-3-7-17(16)12-15/h2-12H,13,22H2,1H3,(H,23,25)
InChIKeyYXXBNYXYKRZDQI-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.75
Rot. Bonds3

About 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide

2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide (PubChem CID 91690132) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide
PubChem CID91690132
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O/c1-14-20(21(25)23-22)18-8-4-5-9-19(18)24(14)13-15-10-11-16-6-2-3-7-17(16)12-15/h2-12H,13,22H2,1H3,(H,23,25)
InChIKeyYXXBNYXYKRZDQI-UHFFFAOYSA-N
XLogP3.75
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
CID 91690131
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
CID 91690120
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
CID 91690237
1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide
CID 91690321
4-[(3-acetyl-2-methylindol-1-yl)methyl]benzonitrile
CID 143390976
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide
CID 24804940
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(naphthalen-2-ylmethyl)-2-oxoquinoline-3-carboxylate
CID 23543890
N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 10712336
(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-naphthalen-2-ylprop-2-enamide
CID 7084373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide?
The IUPAC name of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide (CID 91690132) is 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide?
The canonical SMILES for 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide is Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide?
The InChIKey is YXXBNYXYKRZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-20(21(25)23-22)18-8-4-5-9-19(18)24(14)13-15-10-11-16-6-2-3-7-17(16)12-15/h2-12H,13,22H2,1H3,(H,23,25).
What are the key properties of 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide?
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide has a molecular weight of 329.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide is sourced from PubChem (CID 91690132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).