N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide

C17H12N4O2 — CID 30144291

IUPACN'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H12N4O2/c18-9-11-4-3-5-12(8-11)16(22)20-21-17(23)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,(H,20,22)(H,21,23)
InChIKeyUSLCNNFELJLSJI-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.11
Rot. Bonds2

About N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide

N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide (PubChem CID 30144291) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide
PubChem CID30144291
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H12N4O2/c18-9-11-4-3-5-12(8-11)16(22)20-21-17(23)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,(H,20,22)(H,21,23)
InChIKeyUSLCNNFELJLSJI-UHFFFAOYSA-N
XLogP2.11
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
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'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980172
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide
CID 7910683
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
3-(3-cyanophenyl)-N'-phenylsulfanylbenzohydrazide
CID 155393060
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea
CID 9425663
1-[(3-cyanobenzoyl)amino]-3-ethylthiourea
CID 7977611
4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide
CID 56545246

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide (CID 30144291) is N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide is N#Cc1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide?
The InChIKey is USLCNNFELJLSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-9-11-4-3-5-12(8-11)16(22)20-21-17(23)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,(H,20,22)(H,21,23).
What are the key properties of N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide?
N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide has a molecular weight of 304.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30144291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).