1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide

C17H21N5O5S — CID 27020251

IUPAC1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide
SMILESCN1N=C(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1=O
InChIInChI=1S/C17H21N5O5S/c1-21-15(23)9-8-14(20-21)17(25)19-18-16(24)12-4-6-13(7-5-12)28(26,27)22-10-2-3-11-22/h4-7H,2-3,8-11H2,1H3,(H,18,24)(H,19,25)
InChIKeyKRHANZUOJHOYPH-UHFFFAOYSA-N
MW407.45 g/mol
LogP-0.16
Rot. Bonds4

About 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide

1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide (PubChem CID 27020251) has the molecular formula C17H21N5O5S and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide
PubChem CID27020251
Molecular FormulaC17H21N5O5S
Molecular Weight407.45 g/mol
Exact Mass407.13
IUPAC Name1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide
SMILESCN1N=C(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1=O
InChIInChI=1S/C17H21N5O5S/c1-21-15(23)9-8-14(20-21)17(25)19-18-16(24)12-4-6-13(7-5-12)28(26,27)22-10-2-3-11-22/h4-7H,2-3,8-11H2,1H3,(H,18,24)(H,19,25)
InChIKeyKRHANZUOJHOYPH-UHFFFAOYSA-N
XLogP-0.16
TPSA128.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9327405
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea
CID 24634910
4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide
CID 41331831
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azepan-1-ylsulfonyl)-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886262
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2492854

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide?
The IUPAC name of 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide (CID 27020251) is 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide.
What is the SMILES notation for 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide?
The canonical SMILES for 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide is CN1N=C(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide?
The InChIKey is KRHANZUOJHOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5S/c1-21-15(23)9-8-14(20-21)17(25)19-18-16(24)12-4-6-13(7-5-12)28(26,27)22-10-2-3-11-22/h4-7H,2-3,8-11H2,1H3,(H,18,24)(H,19,25).
What are the key properties of 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide?
1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide has a molecular weight of 407.45 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide is sourced from PubChem (CID 27020251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).