N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide

C13H14N6O2 — CID 15568

IUPACN'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide
SMILESO=C(NNCNNC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H14N6O2/c20-12(10-1-5-14-6-2-10)18-16-9-17-19-13(21)11-3-7-15-8-4-11/h1-8,16-17H,9H2,(H,18,20)(H,19,21)
InChIKeyWWCIFIOLOMCRET-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.40
Rot. Bonds6

About N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide

N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide (PubChem CID 15568) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide
PubChem CID15568
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC NameN'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide
SMILESO=C(NNCNNC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H14N6O2/c20-12(10-1-5-14-6-2-10)18-16-9-17-19-13(21)11-3-7-15-8-4-11/h1-8,16-17H,9H2,(H,18,20)(H,19,21)
InChIKeyWWCIFIOLOMCRET-UHFFFAOYSA-N
XLogP-0.40
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide (CID 15568) is N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide is O=C(NNCNNC(=O)c1ccncc1)c1ccncc1.
What is the InChIKey of N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide?
The InChIKey is WWCIFIOLOMCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c20-12(10-1-5-14-6-2-10)18-16-9-17-19-13(21)11-3-7-15-8-4-11/h1-8,16-17H,9H2,(H,18,20)(H,19,21).
What are the key properties of N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide?
N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide has a molecular weight of 286.30 g/mol, XLogP of -0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 15568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).