N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide

C15H15N3O4 — CID 939827

IUPACN'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccccn2)c1
InChIInChI=1S/C15H15N3O4/c1-21-11-7-10(8-12(9-11)22-2)14(19)17-18-15(20)13-5-3-4-6-16-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyQFJBNXIKNQOTSZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.17
Rot. Bonds4

About N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide

N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide (PubChem CID 939827) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
PubChem CID939827
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccccn2)c1
InChIInChI=1S/C15H15N3O4/c1-21-11-7-10(8-12(9-11)22-2)14(19)17-18-15(20)13-5-3-4-6-16-13/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyQFJBNXIKNQOTSZ-UHFFFAOYSA-N
XLogP1.17
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.17
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'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide (CID 939827) is N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2ccccn2)c1.
What is the InChIKey of N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide?
The InChIKey is QFJBNXIKNQOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-11-7-10(8-12(9-11)22-2)14(19)17-18-15(20)13-5-3-4-6-16-13/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide?
N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide has a molecular weight of 301.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxybenzoyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 939827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).