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

C18H24N4O — CID 44538576

IUPAC2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-3-22(2)17-11-10-16(13-20-17)9-6-14-4-7-15(8-5-14)12-18(23)21-19/h4-5,7-8,10-11,13H,3,6,9,12,19H2,1-2H3,(H,21,23)
InChIKeyCSOQHVXOPYOWRQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.86
Rot. Bonds7

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

2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide (PubChem CID 44538576) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide
PubChem CID44538576
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-3-22(2)17-11-10-16(13-20-17)9-6-14-4-7-15(8-5-14)12-18(23)21-19/h4-5,7-8,10-11,13H,3,6,9,12,19H2,1-2H3,(H,21,23)
InChIKeyCSOQHVXOPYOWRQ-UHFFFAOYSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.86
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(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide (CID 44538576) is 2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide is CCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1.
What is the InChIKey of 2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The InChIKey is CSOQHVXOPYOWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-22(2)17-11-10-16(13-20-17)9-6-14-4-7-15(8-5-14)12-18(23)21-19/h4-5,7-8,10-11,13H,3,6,9,12,19H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide?
2-[4-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide has a molecular weight of 312.42 g/mol, XLogP of 1.86, 7 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(methyl)amino]-3-pyridinyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 44538576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).