N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide

C17H18N4O4S — CID 46523062

IUPACN'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1
InChIInChI=1S/C17H18N4O4S/c22-16(19-20-17(23)14-6-4-8-18-12-14)13-5-3-7-15(11-13)26(24,25)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,22)(H,20,23)
InChIKeyLLZKZECJDRMXSM-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.94
Rot. Bonds4

About N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide

N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide (PubChem CID 46523062) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
PubChem CID46523062
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1
InChIInChI=1S/C17H18N4O4S/c22-16(19-20-17(23)14-6-4-8-18-12-14)13-5-3-7-15(11-13)26(24,25)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,22)(H,20,23)
InChIKeyLLZKZECJDRMXSM-UHFFFAOYSA-N
XLogP0.94
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.94
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'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 26641022
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
CID 43002278
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46407269
N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24688048
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480

Frequently Asked Questions

What is the IUPAC name of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide (CID 46523062) is N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1.
What is the InChIKey of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
The InChIKey is LLZKZECJDRMXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-16(19-20-17(23)14-6-4-8-18-12-14)13-5-3-7-15(11-13)26(24,25)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,22)(H,20,23).
What are the key properties of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide?
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide has a molecular weight of 374.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 46523062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).