2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide

C21H30N4O — CID 58181309

IUPAC2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCCCN(CCC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
InChIInChI=1S/C21H30N4O/c1-3-13-25(14-4-2)20-12-11-19(16-23-20)10-7-17-5-8-18(9-6-17)15-21(26)24-22/h5-6,8-9,11-12,16H,3-4,7,10,13-15,22H2,1-2H3,(H,24,26)
InChIKeyUFSBHRLNFDWGAE-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.03
Rot. Bonds10

About 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide

2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide (PubChem CID 58181309) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide
PubChem CID58181309
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCCCN(CCC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
InChIInChI=1S/C21H30N4O/c1-3-13-25(14-4-2)20-12-11-19(16-23-20)10-7-17-5-8-18(9-6-17)15-21(26)24-22/h5-6,8-9,11-12,16H,3-4,7,10,13-15,22H2,1-2H3,(H,24,26)
InChIKeyUFSBHRLNFDWGAE-UHFFFAOYSA-N
XLogP3.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide (CID 58181309) is 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide is CCCN(CCC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1.
What is the InChIKey of 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The InChIKey is UFSBHRLNFDWGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-13-25(14-4-2)20-12-11-19(16-23-20)10-7-17-5-8-18(9-6-17)15-21(26)24-22/h5-6,8-9,11-12,16H,3-4,7,10,13-15,22H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide has a molecular weight of 354.50 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-(dipropylamino)-3-pyridinyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 58181309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).