N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide

C17H14F2N4O3 — CID 55616843

IUPACN'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1)c1cccnc1
InChIInChI=1S/C17H14F2N4O3/c18-12-3-4-14(13(19)7-12)23-9-11(6-15(23)24)17(26)22-21-16(25)10-2-1-5-20-8-10/h1-5,7-8,11H,6,9H2,(H,21,25)(H,22,26)
InChIKeyUANKIMHVQPDPOG-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.17
Rot. Bonds3

About N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide

N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide (PubChem CID 55616843) has the molecular formula C17H14F2N4O3 and a molecular weight of 360.32 g/mol. Its IUPAC name is N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
PubChem CID55616843
Molecular FormulaC17H14F2N4O3
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC NameN'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1)c1cccnc1
InChIInChI=1S/C17H14F2N4O3/c18-12-3-4-14(13(19)7-12)23-9-11(6-15(23)24)17(26)22-21-16(25)10-2-1-5-20-8-10/h1-5,7-8,11H,6,9H2,(H,21,25)(H,22,26)
InChIKeyUANKIMHVQPDPOG-UHFFFAOYSA-N
XLogP1.17
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 42908925
1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55979557
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 43002273
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
1-(2,4-difluorophenyl)-N'-(2-naphthalen-2-yloxypropanoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55616525
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783688
1-(2,4-difluorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561630
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide (CID 55616843) is N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1)c1cccnc1.
What is the InChIKey of N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The InChIKey is UANKIMHVQPDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3/c18-12-3-4-14(13(19)7-12)23-9-11(6-15(23)24)17(26)22-21-16(25)10-2-1-5-20-8-10/h1-5,7-8,11H,6,9H2,(H,21,25)(H,22,26).
What are the key properties of N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide has a molecular weight of 360.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 55616843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).