2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide

C19H25N5O — CID 44538062

IUPAC2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H25N5O/c20-23-19(25)14-16-6-4-15(5-7-16)8-9-17-2-1-3-18(22-17)24-12-10-21-11-13-24/h1-7,21H,8-14,20H2,(H,23,25)
InChIKeySKJPGOOBMPTYMK-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.81
Rot. Bonds6

About 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide

2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide (PubChem CID 44538062) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide
PubChem CID44538062
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C19H25N5O/c20-23-19(25)14-16-6-4-15(5-7-16)8-9-17-2-1-3-18(22-17)24-12-10-21-11-13-24/h1-7,21H,8-14,20H2,(H,23,25)
InChIKeySKJPGOOBMPTYMK-UHFFFAOYSA-N
XLogP0.81
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide (CID 44538062) is 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CCc2cccc(N3CCNCC3)n2)cc1.
What is the InChIKey of 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide?
The InChIKey is SKJPGOOBMPTYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-23-19(25)14-16-6-4-15(5-7-16)8-9-17-2-1-3-18(22-17)24-12-10-21-11-13-24/h1-7,21H,8-14,20H2,(H,23,25).
What are the key properties of 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide?
2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide has a molecular weight of 339.44 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-piperazin-1-yl-2-pyridinyl)ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 44538062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).