6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide

C18H22FN5O — CID 134584487

IUPAC6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)NN)cn2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN5O/c1-23-8-9-24(17(12-23)13-2-5-15(19)6-3-13)11-16-7-4-14(10-21-16)18(25)22-20/h2-7,10,17H,8-9,11-12,20H2,1H3,(H,22,25)
InChIKeyQLKYOJWHHNLBGM-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.31
Rot. Bonds4

About 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide

6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide (PubChem CID 134584487) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide
PubChem CID134584487
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)NN)cn2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN5O/c1-23-8-9-24(17(12-23)13-2-5-15(19)6-3-13)11-16-7-4-14(10-21-16)18(25)22-20/h2-7,10,17H,8-9,11-12,20H2,1H3,(H,22,25)
InChIKeyQLKYOJWHHNLBGM-UHFFFAOYSA-N
XLogP1.31
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
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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Related Compounds

Niaprazine
CID 71919
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}pyridine-2-carbohydrazide
CID 6878849
Picolinic acid, 2-benzylhydrazide
CID 73101
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
4-[4-[(1R)-3-(3-fluoro-5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
CID 126602436
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879958
N'-(2-Pyridylmethylene)nicotinohydrazide
CID 6885183
2-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 5335659
4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
CID 5720743

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide (CID 134584487) is 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide is CN1CCN(Cc2ccc(C(=O)NN)cn2)C(c2ccc(F)cc2)C1.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide?
The InChIKey is QLKYOJWHHNLBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-23-8-9-24(17(12-23)13-2-5-15(19)6-3-13)11-16-7-4-14(10-21-16)18(25)22-20/h2-7,10,17H,8-9,11-12,20H2,1H3,(H,22,25).
What are the key properties of 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide?
6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide has a molecular weight of 343.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-4-methylpiperazin-1-yl]methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 134584487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).