2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide

C13H11N3O2 — CID 134833517

IUPAC2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NN)c2c(n1)oc1ccccc12
InChIInChI=1S/C13H11N3O2/c1-7-6-9(12(17)16-14)11-8-4-2-3-5-10(8)18-13(11)15-7/h2-6H,14H2,1H3,(H,16,17)
InChIKeyARJKHJJTHLSDMA-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.89
Rot. Bonds1

About 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide

2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide (PubChem CID 134833517) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide
PubChem CID134833517
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NN)c2c(n1)oc1ccccc12
InChIInChI=1S/C13H11N3O2/c1-7-6-9(12(17)16-14)11-8-4-2-3-5-10(8)18-13(11)15-7/h2-6H,14H2,1H3,(H,16,17)
InChIKeyARJKHJJTHLSDMA-UHFFFAOYSA-N
XLogP1.89
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 24814733
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide
CID 122295406
ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 161065299
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 4914849
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122294897
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
ethyl dibenzofuran-1-carboxylate
CID 11858911
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 1475298
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122295157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide?
The IUPAC name of 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide (CID 134833517) is 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide?
The canonical SMILES for 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide is Cc1cc(C(=O)NN)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide?
The InChIKey is ARJKHJJTHLSDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-6-9(12(17)16-14)11-8-4-2-3-5-10(8)18-13(11)15-7/h2-6H,14H2,1H3,(H,16,17).
What are the key properties of 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide?
2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide has a molecular weight of 241.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 134833517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).