4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide

C25H26FN5O — CID 155683146

IUPAC4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide
SMILESCCN(CC1CCC(c2ccnc3ccc(F)cc23)CN1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C25H26FN5O/c1-2-31(30-25(32)18-5-3-17(14-27)4-6-18)16-21-9-7-19(15-29-21)22-11-12-28-24-10-8-20(26)13-23(22)24/h3-6,8,10-13,19,21,29H,2,7,9,15-16H2,1H3,(H,30,32)
InChIKeyMCLYLXRIBUXJNS-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.75
Rot. Bonds6

About 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide

4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide (PubChem CID 155683146) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide
PubChem CID155683146
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide
SMILESCCN(CC1CCC(c2ccnc3ccc(F)cc23)CN1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C25H26FN5O/c1-2-31(30-25(32)18-5-3-17(14-27)4-6-18)16-21-9-7-19(15-29-21)22-11-12-28-24-10-8-20(26)13-23(22)24/h3-6,8,10-13,19,21,29H,2,7,9,15-16H2,1H3,(H,30,32)
InChIKeyMCLYLXRIBUXJNS-UHFFFAOYSA-N
XLogP3.75
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide with MolForge

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Related Compounds

4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
CID 155683150
4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide
CID 155683140
4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646247
4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
CID 175084612
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
CID 121332539
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800
ethyl 3-cyano-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
CID 142471221
N-[[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-4-ethynylbenzamide
CID 155087745
2-[4-[3-(4-cyanoanilino)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-3-oxopropyl]phenyl]propanoic acid
CID 121333246

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide?
The IUPAC name of 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide (CID 155683146) is 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide?
The canonical SMILES for 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide is CCN(CC1CCC(c2ccnc3ccc(F)cc23)CN1)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide?
The InChIKey is MCLYLXRIBUXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-2-31(30-25(32)18-5-3-17(14-27)4-6-18)16-21-9-7-19(15-29-21)22-11-12-28-24-10-8-20(26)13-23(22)24/h3-6,8,10-13,19,21,29H,2,7,9,15-16H2,1H3,(H,30,32).
What are the key properties of 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide?
4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide has a molecular weight of 431.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-ethyl-N'-[[5-(6-fluoroquinolin-4-yl)piperidin-2-yl]methyl]benzohydrazide is sourced from PubChem (CID 155683146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).