N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide

C13H17ClN4O — CID 16763454

IUPACN'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide
SMILESCCCC(=O)NN(CC)c1cc(C)c(C#N)c(Cl)n1
InChIInChI=1S/C13H17ClN4O/c1-4-6-12(19)17-18(5-2)11-7-9(3)10(8-15)13(14)16-11/h7H,4-6H2,1-3H3,(H,17,19)
InChIKeyXJIQJGMCVOYPOK-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.57
Rot. Bonds5

About N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide

N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide (PubChem CID 16763454) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide.

Molecular Properties

Compound NameN'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide
PubChem CID16763454
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC NameN'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide
SMILESCCCC(=O)NN(CC)c1cc(C)c(C#N)c(Cl)n1
InChIInChI=1S/C13H17ClN4O/c1-4-6-12(19)17-18(5-2)11-7-9(3)10(8-15)13(14)16-11/h7H,4-6H2,1-3H3,(H,17,19)
InChIKeyXJIQJGMCVOYPOK-UHFFFAOYSA-N
XLogP2.57
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide?
The IUPAC name of N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide (CID 16763454) is N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide.
What is the SMILES notation for N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide?
The canonical SMILES for N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide is CCCC(=O)NN(CC)c1cc(C)c(C#N)c(Cl)n1.
What is the InChIKey of N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide?
The InChIKey is XJIQJGMCVOYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-4-6-12(19)17-18(5-2)11-7-9(3)10(8-15)13(14)16-11/h7H,4-6H2,1-3H3,(H,17,19).
What are the key properties of N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide?
N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide has a molecular weight of 280.76 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N'-ethylbutanehydrazide is sourced from PubChem (CID 16763454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).