N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide

C14H12N6O2 — CID 29494435

IUPACN'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide
SMILESNc1nccnc1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N6O2/c15-12-11(16-5-6-17-12)14(22)20-19-13(21)9-7-18-10-4-2-1-3-8(9)10/h1-7,18H,(H2,15,17)(H,19,21)(H,20,22)
InChIKeyHLOHFTQOIWWLJW-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.61
Rot. Bonds2

About N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide

N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide (PubChem CID 29494435) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide
PubChem CID29494435
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC NameN'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide
SMILESNc1nccnc1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H12N6O2/c15-12-11(16-5-6-17-12)14(22)20-19-13(21)9-7-18-10-4-2-1-3-8(9)10/h1-7,18H,(H2,15,17)(H,19,21)(H,20,22)
InChIKeyHLOHFTQOIWWLJW-UHFFFAOYSA-N
XLogP0.61
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379117
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide
CID 56545246
N'-(1-pyrazin-2-ylpiperidine-4-carbonyl)-1H-indole-3-carbohydrazide
CID 38793783
N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455952
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide (CID 29494435) is N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide is Nc1nccnc1C(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide?
The InChIKey is HLOHFTQOIWWLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c15-12-11(16-5-6-17-12)14(22)20-19-13(21)9-7-18-10-4-2-1-3-8(9)10/h1-7,18H,(H2,15,17)(H,19,21)(H,20,22).
What are the key properties of N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide?
N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide has a molecular weight of 296.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopyrazine-2-carbonyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 29494435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).