2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide

C13H9N5O2 — CID 175673334

IUPAC2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2ccncc2)ccn1
InChIInChI=1S/C13H9N5O2/c14-8-11-7-10(3-6-16-11)13(20)18-17-12(19)9-1-4-15-5-2-9/h1-7H,(H,17,19)(H,18,20)
InChIKeyAPSGRPSHOGOBMQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.42
Rot. Bonds2

About 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide

2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide (PubChem CID 175673334) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
PubChem CID175673334
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2ccncc2)ccn1
InChIInChI=1S/C13H9N5O2/c14-8-11-7-10(3-6-16-11)13(20)18-17-12(19)9-1-4-15-5-2-9/h1-7H,(H,17,19)(H,18,20)
InChIKeyAPSGRPSHOGOBMQ-UHFFFAOYSA-N
XLogP0.42
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.42
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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Related Compounds

N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 140582866
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-cyano-N-cyclohexylpyridine-4-carboxamide
CID 90349653
2-cyano-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyridine-4-carboxamide
CID 155481934
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 115115799
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
CID 115115806
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide (CID 175673334) is 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2ccncc2)ccn1.
What is the InChIKey of 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is APSGRPSHOGOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c14-8-11-7-10(3-6-16-11)13(20)18-17-12(19)9-1-4-15-5-2-9/h1-7H,(H,17,19)(H,18,20).
What are the key properties of 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide?
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 267.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 175673334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).