N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide

C22H21N3O — CID 123934707

IUPACN'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide
SMILESCCn1c(C)c(NNC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H21N3O/c1-3-25-15(2)21(19-12-6-7-14-20(19)25)23-24-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,23H,3H2,1-2H3,(H,24,26)
InChIKeyNGHLVQPFSMWJSC-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.88
Rot. Bonds4

About N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide

N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide (PubChem CID 123934707) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide
PubChem CID123934707
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide
SMILESCCn1c(C)c(NNC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H21N3O/c1-3-25-15(2)21(19-12-6-7-14-20(19)25)23-24-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,23H,3H2,1-2H3,(H,24,26)
InChIKeyNGHLVQPFSMWJSC-UHFFFAOYSA-N
XLogP4.88
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
3-(1-ethyl-2-methylindol-3-yl)phthalic acid
CID 174459470
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide
CID 18121246
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide?
The IUPAC name of N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide (CID 123934707) is N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide?
The canonical SMILES for N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide is CCn1c(C)c(NNC(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide?
The InChIKey is NGHLVQPFSMWJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-3-25-15(2)21(19-12-6-7-14-20(19)25)23-24-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14,23H,3H2,1-2H3,(H,24,26).
What are the key properties of N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide?
N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide has a molecular weight of 343.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-2-methylindol-3-yl)naphthalene-1-carbohydrazide is sourced from PubChem (CID 123934707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).