N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide

C14H12N4O5 — CID 5087025

IUPACN'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O5/c1-23-12-3-2-10(8-11(12)18(21)22)14(20)17-16-13(19)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyJRWDQSXWVQSUOW-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.07
Rot. Bonds4

About N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide

N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide (PubChem CID 5087025) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide
PubChem CID5087025
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC NameN'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O5/c1-23-12-3-2-10(8-11(12)18(21)22)14(20)17-16-13(19)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyJRWDQSXWVQSUOW-UHFFFAOYSA-N
XLogP1.07
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide (CID 5087025) is N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide?
The InChIKey is JRWDQSXWVQSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-23-12-3-2-10(8-11(12)18(21)22)14(20)17-16-13(19)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide?
N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide has a molecular weight of 316.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 5087025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).