N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide

C22H20N6O3S — CID 135347782

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(S(=O)(=O)c3ccccn3)c2)n1
InChIInChI=1S/C22H20N6O3S/c1-15(2)28-14-24-27-21(28)18-9-6-10-19(25-18)26-22(29)16-7-5-8-17(13-16)32(30,31)20-11-3-4-12-23-20/h3-15H,1-2H3,(H,25,26,29)
InChIKeyPUVJIMUUIYQDMT-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.40
Rot. Bonds6

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide (PubChem CID 135347782) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide
PubChem CID135347782
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(S(=O)(=O)c3ccccn3)c2)n1
InChIInChI=1S/C22H20N6O3S/c1-15(2)28-14-24-27-21(28)18-9-6-10-19(25-18)26-22(29)16-7-5-8-17(13-16)32(30,31)20-11-3-4-12-23-20/h3-15H,1-2H3,(H,25,26,29)
InChIKeyPUVJIMUUIYQDMT-UHFFFAOYSA-N
XLogP3.40
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 153449802
ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyrimidin-4-ylamino)benzamide
CID 135348307
3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 153449821
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide
CID 135347980
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
CID 169227716
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide
CID 135347692
2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid
CID 155230978
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 135347910
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135348383
2-benzyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
CID 137435793

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide (CID 135347782) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(S(=O)(=O)c3ccccn3)c2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide?
The InChIKey is PUVJIMUUIYQDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-15(2)28-14-24-27-21(28)18-9-6-10-19(25-18)26-22(29)16-7-5-8-17(13-16)32(30,31)20-11-3-4-12-23-20/h3-15H,1-2H3,(H,25,26,29).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide has a molecular weight of 448.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide is sourced from PubChem (CID 135347782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).