N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide

C16H13N3O3 — CID 7677977

IUPACN'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C16H13N3O3/c1-10-12-4-2-3-5-13(12)22-14(10)16(21)19-18-15(20)11-6-8-17-9-7-11/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyRZDDIJQNHOCDRK-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.21
Rot. Bonds2

About N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide

N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide (PubChem CID 7677977) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
PubChem CID7677977
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C16H13N3O3/c1-10-12-4-2-3-5-13(12)22-14(10)16(21)19-18-15(20)11-6-8-17-9-7-11/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyRZDDIJQNHOCDRK-UHFFFAOYSA-N
XLogP2.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide (CID 7677977) is N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccncc2)oc2ccccc12.
What is the InChIKey of N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is RZDDIJQNHOCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-12-4-2-3-5-13(12)22-14(10)16(21)19-18-15(20)11-6-8-17-9-7-11/h2-9H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 295.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 7677977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).