2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide

C17H15N5O2 — CID 39966213

IUPAC2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
SMILESCc1nc2ccc(C(=O)NNC(=O)c3cccnc3)cc2nc1C
InChIInChI=1S/C17H15N5O2/c1-10-11(2)20-15-8-12(5-6-14(15)19-10)16(23)21-22-17(24)13-4-3-7-18-9-13/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIGHQPXJZCVHHSY-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.72
Rot. Bonds2

About 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide

2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide (PubChem CID 39966213) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide.

Molecular Properties

Compound Name2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
PubChem CID39966213
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
SMILESCc1nc2ccc(C(=O)NNC(=O)c3cccnc3)cc2nc1C
InChIInChI=1S/C17H15N5O2/c1-10-11(2)20-15-8-12(5-6-14(15)19-10)16(23)21-22-17(24)13-4-3-7-18-9-13/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIGHQPXJZCVHHSY-UHFFFAOYSA-N
XLogP1.72
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
CID 4732228
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide
CID 4827071
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 32688575
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
CID 108770555
N-methylpyridine-3-carboxamide chloride
CID 20976730
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide?
The IUPAC name of 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide (CID 39966213) is 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide.
What is the SMILES notation for 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide?
The canonical SMILES for 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide is Cc1nc2ccc(C(=O)NNC(=O)c3cccnc3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide?
The InChIKey is IGHQPXJZCVHHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10-11(2)20-15-8-12(5-6-14(15)19-10)16(23)21-22-17(24)13-4-3-7-18-9-13/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide?
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide has a molecular weight of 321.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide is sourced from PubChem (CID 39966213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).