N'-pentanoyl-1H-indole-3-carbohydrazide

C14H17N3O2 — CID 134008164

IUPACN'-pentanoyl-1H-indole-3-carbohydrazide
SMILESCCCCC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-2-3-8-13(18)16-17-14(19)11-9-15-12-7-5-4-6-10(11)12/h4-7,9,15H,2-3,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyJVXQFJWACZVQOF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.12
Rot. Bonds4

About N'-pentanoyl-1H-indole-3-carbohydrazide

N'-pentanoyl-1H-indole-3-carbohydrazide (PubChem CID 134008164) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-pentanoyl-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-pentanoyl-1H-indole-3-carbohydrazide
PubChem CID134008164
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN'-pentanoyl-1H-indole-3-carbohydrazide
SMILESCCCCC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-2-3-8-13(18)16-17-14(19)11-9-15-12-7-5-4-6-10(11)12/h4-7,9,15H,2-3,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyJVXQFJWACZVQOF-UHFFFAOYSA-N
XLogP2.12
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 27691817
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762

Frequently Asked Questions

What is the IUPAC name of N'-pentanoyl-1H-indole-3-carbohydrazide?
The IUPAC name of N'-pentanoyl-1H-indole-3-carbohydrazide (CID 134008164) is N'-pentanoyl-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-pentanoyl-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-pentanoyl-1H-indole-3-carbohydrazide is CCCCC(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-pentanoyl-1H-indole-3-carbohydrazide?
The InChIKey is JVXQFJWACZVQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-8-13(18)16-17-14(19)11-9-15-12-7-5-4-6-10(11)12/h4-7,9,15H,2-3,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-pentanoyl-1H-indole-3-carbohydrazide?
N'-pentanoyl-1H-indole-3-carbohydrazide has a molecular weight of 259.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentanoyl-1H-indole-3-carbohydrazide is sourced from PubChem (CID 134008164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).