4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide

C15H20BrN3O — CID 54317266

IUPAC4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CC=C(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O/c16-14-5-3-12(4-6-14)13-7-10-19(11-8-13)9-1-2-15(20)18-17/h3-7H,1-2,8-11,17H2,(H,18,20)
InChIKeySPCKLQFLDIHGJX-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.31
Rot. Bonds5

About 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide

4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide (PubChem CID 54317266) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide
PubChem CID54317266
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CC=C(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O/c16-14-5-3-12(4-6-14)13-7-10-19(11-8-13)9-1-2-15(20)18-17/h3-7H,1-2,8-11,17H2,(H,18,20)
InChIKeySPCKLQFLDIHGJX-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid
CID 11220282
ethyl 4-[4-(4-spiro[4.5]decan-8-yloxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butanoate
CID 90183888
4-(3,4-dihydroxypyrrolidin-1-yl)butanehydrazide
CID 106674306
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylacetamide
CID 47129873
N-(2-bromophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125062
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
CID 30031547
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
CID 55213456
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide (CID 54317266) is 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide is NNC(=O)CCCN1CC=C(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide?
The InChIKey is SPCKLQFLDIHGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-14-5-3-12(4-6-14)13-7-10-19(11-8-13)9-1-2-15(20)18-17/h3-7H,1-2,8-11,17H2,(H,18,20).
What are the key properties of 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide?
4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide has a molecular weight of 338.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide is sourced from PubChem (CID 54317266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).