N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide

C18H18N4O3S — CID 42908925

IUPACN'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
SMILESCSc1cccc(N2CC(C(=O)NNC(=O)c3cccnc3)CC2=O)c1
InChIInChI=1S/C18H18N4O3S/c1-26-15-6-2-5-14(9-15)22-11-13(8-16(22)23)18(25)21-20-17(24)12-4-3-7-19-10-12/h2-7,9-10,13H,8,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyZAJMJJXCSABFRX-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.62
Rot. Bonds4

About N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide

N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide (PubChem CID 42908925) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
PubChem CID42908925
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
SMILESCSc1cccc(N2CC(C(=O)NNC(=O)c3cccnc3)CC2=O)c1
InChIInChI=1S/C18H18N4O3S/c1-26-15-6-2-5-14(9-15)22-11-13(8-16(22)23)18(25)21-20-17(24)12-4-3-7-19-10-12/h2-7,9-10,13H,8,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyZAJMJJXCSABFRX-UHFFFAOYSA-N
XLogP1.62
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 43002273
N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 55616843
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
(3S)-N'-[2-(3-bromophenoxy)acetyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 41297130
(3R)-N'-[2-(3-bromophenoxy)acetyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 41297126
(3R)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25336280
N-[2-[di(propan-2-yl)amino]ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43006053
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16549286
(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727068
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51672365
(3R)-N-[(1S,2R)-2-methylcyclohexyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51672364
N-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17433547

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide (CID 42908925) is N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide is CSc1cccc(N2CC(C(=O)NNC(=O)c3cccnc3)CC2=O)c1.
What is the InChIKey of N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
The InChIKey is ZAJMJJXCSABFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-26-15-6-2-5-14(9-15)22-11-13(8-16(22)23)18(25)21-20-17(24)12-4-3-7-19-10-12/h2-7,9-10,13H,8,11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide?
N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide has a molecular weight of 370.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 42908925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).