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

C14H19Cl2N3O — CID 57412746

IUPAC3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide
SMILESO=C(CCC1CCCCC1)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,17,19)(H,18,20)
InChIKeyRLBAFTRGONSHOF-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.19
Rot. Bonds5

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

3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide (PubChem CID 57412746) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide.

Molecular Properties

Compound Name3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide
PubChem CID57412746
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide
SMILESO=C(CCC1CCCCC1)NNc1c(Cl)cncc1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,17,19)(H,18,20)
InChIKeyRLBAFTRGONSHOF-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.19
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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Related Compounds

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CID 754531
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(3-cyclohexylpropanoylamino)thiourea
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3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
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2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide
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3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
CID 108555654
N-(3-chlorophenyl)-3-cyclohexylpropanamide
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N-(2-chloroethyl)-3-cyclohexylpropanamide
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3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
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CID 43549384

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide?
The IUPAC name of 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide (CID 57412746) is 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide.
What is the SMILES notation for 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide?
The canonical SMILES for 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide is O=C(CCC1CCCCC1)NNc1c(Cl)cncc1Cl.
What is the InChIKey of 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide?
The InChIKey is RLBAFTRGONSHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,17,19)(H,18,20).
What are the key properties of 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide?
3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide has a molecular weight of 316.23 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide is sourced from PubChem (CID 57412746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).