2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide

C24H27N3O3S — CID 36607768

IUPAC2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C24H27N3O3S/c1-17(2)27-31(29,30)16-20-11-9-19(10-12-20)15-25-24(28)22-13-14-23(26-18(22)3)21-7-5-4-6-8-21/h4-14,17,27H,15-16H2,1-3H3,(H,25,28)
InChIKeyNVEDYUYQNGUGPU-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.81
Rot. Bonds8

About 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide

2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 36607768) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID36607768
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C24H27N3O3S/c1-17(2)27-31(29,30)16-20-11-9-19(10-12-20)15-25-24(28)22-13-14-23(26-18(22)3)21-7-5-4-6-8-21/h4-14,17,27H,15-16H2,1-3H3,(H,25,28)
InChIKeyNVEDYUYQNGUGPU-UHFFFAOYSA-N
XLogP3.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 52541663
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110952456
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110952455
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 36607696
3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612729
2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
CID 119431609
N-(2-amino-2-methylpropyl)-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119627957
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057
N-(1-hydroxypropan-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78856776
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 36607768) is 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NVEDYUYQNGUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17(2)27-31(29,30)16-20-11-9-19(10-12-20)15-25-24(28)22-13-14-23(26-18(22)3)21-7-5-4-6-8-21/h4-14,17,27H,15-16H2,1-3H3,(H,25,28).
What are the key properties of 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 36607768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).