4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide

C15H21Cl2N3O — CID 57412749

IUPAC4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide
SMILESO=C(CCCC1CCCCC1)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C15H21Cl2N3O/c16-12-9-18-10-13(17)15(12)20-19-14(21)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2,(H,18,20)(H,19,21)
InChIKeyYUWKYDQCVPWPNR-UHFFFAOYSA-N
MW330.26 g/mol
LogP4.58
Rot. Bonds6

About 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide

4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide (PubChem CID 57412749) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide.

Molecular Properties

Compound Name4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide
PubChem CID57412749
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide
SMILESO=C(CCCC1CCCCC1)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C15H21Cl2N3O/c16-12-9-18-10-13(17)15(12)20-19-14(21)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2,(H,18,20)(H,19,21)
InChIKeyYUWKYDQCVPWPNR-UHFFFAOYSA-N
XLogP4.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide?
The IUPAC name of 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide (CID 57412749) is 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide.
What is the SMILES notation for 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide?
The canonical SMILES for 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide is O=C(CCCC1CCCCC1)NNc1c(Cl)cncc1Cl.
What is the InChIKey of 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide?
The InChIKey is YUWKYDQCVPWPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c16-12-9-18-10-13(17)15(12)20-19-14(21)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2,(H,18,20)(H,19,21).
What are the key properties of 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide?
4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide has a molecular weight of 330.26 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide is sourced from PubChem (CID 57412749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).