1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide

C20H17N5O3S — CID 1488136

IUPAC1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide
SMILESCc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3ccc4ccccc4c3)c2)n1
InChIInChI=1S/C20H17N5O3S/c1-14-5-4-8-19(22-14)25-12-18(21-13-25)20(26)23-24-29(27,28)17-10-9-15-6-2-3-7-16(15)11-17/h2-13,24H,1H3,(H,23,26)
InChIKeyMGGRLTZQWBSYNP-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.35
Rot. Bonds5

About 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide

1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide (PubChem CID 1488136) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide
PubChem CID1488136
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide
SMILESCc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3ccc4ccccc4c3)c2)n1
InChIInChI=1S/C20H17N5O3S/c1-14-5-4-8-19(22-14)25-12-18(21-13-25)20(26)23-24-29(27,28)17-10-9-15-6-2-3-7-16(15)11-17/h2-13,24H,1H3,(H,23,26)
InChIKeyMGGRLTZQWBSYNP-UHFFFAOYSA-N
XLogP2.35
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide (CID 1488136) is 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide is Cc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3ccc4ccccc4c3)c2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide?
The InChIKey is MGGRLTZQWBSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-14-5-4-8-19(22-14)25-12-18(21-13-25)20(26)23-24-29(27,28)17-10-9-15-6-2-3-7-16(15)11-17/h2-13,24H,1H3,(H,23,26).
What are the key properties of 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide?
1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide has a molecular weight of 407.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-N'-naphthalen-2-ylsulfonylimidazole-4-carbohydrazide is sourced from PubChem (CID 1488136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).