(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide

C17H17FN4O2 — CID 94336529

IUPAC(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
SMILESO=C(NNC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2/c18-14-5-3-13(4-6-14)16(23)20-21-17(24)22-11-1-2-15(22)12-7-9-19-10-8-12/h3-10,15H,1-2,11H2,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyLPQOLFYQXOKXQD-HNNXBMFYSA-N
MW328.35 g/mol
LogP2.41
Rot. Bonds2

About (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide

(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide (PubChem CID 94336529) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
PubChem CID94336529
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
SMILESO=C(NNC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2/c18-14-5-3-13(4-6-14)16(23)20-21-17(24)22-11-1-2-15(22)12-7-9-19-10-8-12/h3-10,15H,1-2,11H2,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyLPQOLFYQXOKXQD-HNNXBMFYSA-N
XLogP2.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124831990
(2R)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52512945
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide
CID 86920465
N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 78896587
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60727625
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86980678
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide?
The IUPAC name of (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide (CID 94336529) is (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide.
What is the SMILES notation for (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide?
The canonical SMILES for (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide is O=C(NNC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide?
The InChIKey is LPQOLFYQXOKXQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-14-5-3-13(4-6-14)16(23)20-21-17(24)22-11-1-2-15(22)12-7-9-19-10-8-12/h3-10,15H,1-2,11H2,(H,20,23)(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide?
(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide has a molecular weight of 328.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide is sourced from PubChem (CID 94336529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).