N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide

C25H29N5O3S — CID 136930084

IUPACN'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C25H29N5O3S/c26-24(23-22(15-16-27-25(23)31)29-19-9-5-2-6-10-19)30-20-11-13-21(14-12-20)34(32,33)28-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19,28H,2,5-6,9-10,17H2,(H2,26,30)(H2,27,29,31)
InChIKeyNWRJJQCPHVPWML-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.63
Rot. Bonds8

About N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide

N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 136930084) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID136930084
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC NameN'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C25H29N5O3S/c26-24(23-22(15-16-27-25(23)31)29-19-9-5-2-6-10-19)30-20-11-13-21(14-12-20)34(32,33)28-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19,28H,2,5-6,9-10,17H2,(H2,26,30)(H2,27,29,31)
InChIKeyNWRJJQCPHVPWML-UHFFFAOYSA-N
XLogP3.63
TPSA129.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (CID 136930084) is N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is NWRJJQCPHVPWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c26-24(23-22(15-16-27-25(23)31)29-19-9-5-2-6-10-19)30-20-11-13-21(14-12-20)34(32,33)28-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19,28H,2,5-6,9-10,17H2,(H2,26,30)(H2,27,29,31).
What are the key properties of N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 479.61 g/mol, XLogP of 3.63, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(benzylsulfamoyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 136930084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).