N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide

C20H23N5O3S — CID 25130429

IUPACN-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)c1
InChIInChI=1S/C20H23N5O3S/c1-29(27,28)24-17-9-5-8-15(12-17)16-10-11-18-21-20(23-25(18)13-16)22-19(26)14-6-3-2-4-7-14/h5,8-14,24H,2-4,6-7H2,1H3,(H,22,23,26)
InChIKeyPRFGLYLLUKKGMY-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.29
Rot. Bonds5

About N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide

N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide (PubChem CID 25130429) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
PubChem CID25130429
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)c1
InChIInChI=1S/C20H23N5O3S/c1-29(27,28)24-17-9-5-8-15(12-17)16-10-11-18-21-20(23-25(18)13-16)22-19(26)14-6-3-2-4-7-14/h5,8-14,24H,2-4,6-7H2,1H3,(H,22,23,26)
InChIKeyPRFGLYLLUKKGMY-UHFFFAOYSA-N
XLogP3.29
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide (CID 25130429) is N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide is CS(=O)(=O)Nc1cccc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)c1.
What is the InChIKey of N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The InChIKey is PRFGLYLLUKKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-29(27,28)24-17-9-5-8-15(12-17)16-10-11-18-21-20(23-25(18)13-16)22-19(26)14-6-3-2-4-7-14/h5,8-14,24H,2-4,6-7H2,1H3,(H,22,23,26).
What are the key properties of N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 25130429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).