N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide

C18H21N3O3S — CID 1489919

IUPACN'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)C2CC2)c1S(C)(=O)=O
InChIInChI=1S/C18H21N3O3S/c1-12-11-15(13-7-5-4-6-8-13)19-17(16(12)25(3,23)24)21(2)20-18(22)14-9-10-14/h4-8,11,14H,9-10H2,1-3H3,(H,20,22)
InChIKeyNLURTSVNDDUQMM-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.34
Rot. Bonds5

About N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide

N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide (PubChem CID 1489919) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide
PubChem CID1489919
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide
SMILESCc1cc(-c2ccccc2)nc(N(C)NC(=O)C2CC2)c1S(C)(=O)=O
InChIInChI=1S/C18H21N3O3S/c1-12-11-15(13-7-5-4-6-8-13)19-17(16(12)25(3,23)24)21(2)20-18(22)14-9-10-14/h4-8,11,14H,9-10H2,1-3H3,(H,20,22)
InChIKeyNLURTSVNDDUQMM-UHFFFAOYSA-N
XLogP2.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide?
The IUPAC name of N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide (CID 1489919) is N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide.
What is the SMILES notation for N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide?
The canonical SMILES for N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide is Cc1cc(-c2ccccc2)nc(N(C)NC(=O)C2CC2)c1S(C)(=O)=O.
What is the InChIKey of N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide?
The InChIKey is NLURTSVNDDUQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-11-15(13-7-5-4-6-8-13)19-17(16(12)25(3,23)24)21(2)20-18(22)14-9-10-14/h4-8,11,14H,9-10H2,1-3H3,(H,20,22).
What are the key properties of N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide?
N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide has a molecular weight of 359.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)cyclopropanecarbohydrazide is sourced from PubChem (CID 1489919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).