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

C20H28N4O — CID 58181322

IUPAC2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCCCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-3-13-24(4-2)19-12-11-18(15-22-19)10-7-16-5-8-17(9-6-16)14-20(25)23-21/h5-6,8-9,11-12,15H,3-4,7,10,13-14,21H2,1-2H3,(H,23,25)
InChIKeyRUDMIDCHARHPDU-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.64
Rot. Bonds9

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

2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide (PubChem CID 58181322) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide
PubChem CID58181322
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCCCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-3-13-24(4-2)19-12-11-18(15-22-19)10-7-16-5-8-17(9-6-16)14-20(25)23-21/h5-6,8-9,11-12,15H,3-4,7,10,13-14,21H2,1-2H3,(H,23,25)
InChIKeyRUDMIDCHARHPDU-UHFFFAOYSA-N
XLogP2.64
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.64
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-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide (CID 58181322) is 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide is CCCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1.
What is the InChIKey of 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The InChIKey is RUDMIDCHARHPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-13-24(4-2)19-12-11-18(15-22-19)10-7-16-5-8-17(9-6-16)14-20(25)23-21/h5-6,8-9,11-12,15H,3-4,7,10,13-14,21H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide has a molecular weight of 340.47 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-[ethyl(propyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 58181322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).