N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide

C14H12N4O2 — CID 3061305

IUPACN'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide
SMILESO=C(NNC1=Nc2ccccc2OC1)c1ccccn1
InChIInChI=1S/C14H12N4O2/c19-14(11-6-3-4-8-15-11)18-17-13-9-20-12-7-2-1-5-10(12)16-13/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyBXTNPDICFRVVTL-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.44
Rot. Bonds1

About N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide

N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide (PubChem CID 3061305) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide
PubChem CID3061305
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide
SMILESO=C(NNC1=Nc2ccccc2OC1)c1ccccn1
InChIInChI=1S/C14H12N4O2/c19-14(11-6-3-4-8-15-11)18-17-13-9-20-12-7-2-1-5-10(12)16-13/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyBXTNPDICFRVVTL-UHFFFAOYSA-N
XLogP1.44
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide (CID 3061305) is N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide is O=C(NNC1=Nc2ccccc2OC1)c1ccccn1.
What is the InChIKey of N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide?
The InChIKey is BXTNPDICFRVVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(11-6-3-4-8-15-11)18-17-13-9-20-12-7-2-1-5-10(12)16-13/h1-8H,9H2,(H,16,17)(H,18,19).
What are the key properties of N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide?
N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide has a molecular weight of 268.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2H-1,4-benzoxazin-3-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 3061305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).