N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

C16H20N4OS — CID 136557586

IUPACN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCn1nc2c(c1NC(=O)CSCc1ccccn1)CCCC2
InChIInChI=1S/C16H20N4OS/c1-20-16(13-7-2-3-8-14(13)19-20)18-15(21)11-22-10-12-6-4-5-9-17-12/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,18,21)
InChIKeyBBNLFJSMJNHIIM-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.57
Rot. Bonds5

About N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 136557586) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID136557586
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCn1nc2c(c1NC(=O)CSCc1ccccn1)CCCC2
InChIInChI=1S/C16H20N4OS/c1-20-16(13-7-2-3-8-14(13)19-20)18-15(21)11-22-10-12-6-4-5-9-17-12/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,18,21)
InChIKeyBBNLFJSMJNHIIM-UHFFFAOYSA-N
XLogP2.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 136557584
2-benzylsulfanyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanamide
CID 136557587
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 136565681
2-methyl-N-(pyridin-2-ylmethylsulfonyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 167804498
3-(2-methoxyphenoxy)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
CID 75418072
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 120882233
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 47777690
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55966889
2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 119822846
N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
CID 51085850

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 136557586) is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is Cn1nc2c(c1NC(=O)CSCc1ccccn1)CCCC2.
What is the InChIKey of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is BBNLFJSMJNHIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20-16(13-7-2-3-8-14(13)19-20)18-15(21)11-22-10-12-6-4-5-9-17-12/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,18,21).
What are the key properties of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 136557586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).