4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide

C23H31N5O3S — CID 137281970

IUPAC4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C23H31N5O3S/c24-22(21-20(13-14-25-23(21)29)26-17-7-3-1-4-8-17)27-18-9-11-19(12-10-18)32(30,31)28-15-5-2-6-16-28/h9-14,17H,1-8,15-16H2,(H2,24,27)(H2,25,26,29)
InChIKeyYRQACVNDBJZYJK-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.33
Rot. Bonds6

About 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide (PubChem CID 137281970) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide
PubChem CID137281970
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC Name4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C23H31N5O3S/c24-22(21-20(13-14-25-23(21)29)26-17-7-3-1-4-8-17)27-18-9-11-19(12-10-18)32(30,31)28-15-5-2-6-16-28/h9-14,17H,1-8,15-16H2,(H2,24,27)(H2,25,26,29)
InChIKeyYRQACVNDBJZYJK-UHFFFAOYSA-N
XLogP3.33
TPSA120.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.33
H-Bond Donors ≤ 53
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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Related Compounds

6-oxo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2514781
tert-butyl 3-fluoro-4-[[3-[N'-(4-methylsulfonylphenyl)carbamimidoyl]-2-oxo-1H-pyridin-4-yl]amino]piperidine-1-carboxylate
CID 137288510
4-[[4-(cyanomethyl)-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]amino]-N'-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137288638
4-[[4-(cyanomethyl)-1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]amino]-N'-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137288642
4-[[4-(cyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-N'-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137288777
4-(cyclopropylmethylamino)-2-oxo-N'-[4-[3-(trifluoromethyl)pyrrolidin-1-yl]sulfonylphenyl]-1H-pyridine-3-carboximidamide
CID 137310250
N'-[4-[tert-butyl(methyl)sulfamoyl]phenyl]-4-[[4-(cyanomethyl)-1-(2,2-difluoropropanoyl)piperidin-4-yl]amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 144712838
[amino-[4-[(2-fluorocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]methylidene]-[4-(dimethylsulfamoyl)phenyl]azanium
CID 144713248
2-[4-[(2-Oxoindol-3-yl)methylamino]phenyl]sulfonylguanidine
CID 446707
N'-[4-(dimethylsulfamoyl)phenyl]-4-[(2-fluorocyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 144713249
[[4-[ethylidene-(methylamino)-oxo-lambda6-sulfanyl]anilino]-(4-methyl-2-oxo-1H-pyridin-3-yl)methylidene]-dimethylazanium
CID 123379738
(E)-3-amino-2-[N'-[4-(cyclohexylamino)sulfanylphenyl]carbamimidoyl]prop-2-enamide
CID 130284896

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide (CID 137281970) is 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide?
The InChIKey is YRQACVNDBJZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c24-22(21-20(13-14-25-23(21)29)26-17-7-3-1-4-8-17)27-18-9-11-19(12-10-18)32(30,31)28-15-5-2-6-16-28/h9-14,17H,1-8,15-16H2,(H2,24,27)(H2,25,26,29).
What are the key properties of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide has a molecular weight of 457.60 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-1-ylsulfonylphenyl)-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137281970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).