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

C21H19N7OS — CID 135347980

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Sc3cnccn3)c2)n1
InChIInChI=1S/C21H19N7OS/c1-14(2)28-13-24-27-20(28)17-7-4-8-18(25-17)26-21(29)15-5-3-6-16(11-15)30-19-12-22-9-10-23-19/h3-14H,1-2H3,(H,25,26,29)
InChIKeySVEZZGFFDABFEB-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.11
Rot. Bonds6

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

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide (PubChem CID 135347980) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide
PubChem CID135347980
Molecular FormulaC21H19N7OS
Molecular Weight417.50 g/mol
Exact Mass417.14
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Sc3cnccn3)c2)n1
InChIInChI=1S/C21H19N7OS/c1-14(2)28-13-24-27-20(28)17-7-4-8-18(25-17)26-21(29)15-5-3-6-16(11-15)30-19-12-22-9-10-23-19/h3-14H,1-2H3,(H,25,26,29)
InChIKeySVEZZGFFDABFEB-UHFFFAOYSA-N
XLogP4.11
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

3-[(5-cyclopropyl-2-pyridinyl)sulfanyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 135348155
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
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
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyrimidin-4-ylamino)benzamide
CID 135348307
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide
CID 135347692
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135348383
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-pyridin-2-ylsulfonylbenzamide
CID 135347782
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
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyrimidin-5-ylbenzene-1,3-dicarboxamide
CID 135347726
N-[2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
CID 135348154
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
CID 135348160

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide (CID 135347980) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Sc3cnccn3)c2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide?
The InChIKey is SVEZZGFFDABFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-14(2)28-13-24-27-20(28)17-7-4-8-18(25-17)26-21(29)15-5-3-6-16(11-15)30-19-12-22-9-10-23-19/h3-14H,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-pyrazin-2-ylsulfanylbenzamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide has a molecular weight of 417.50 g/mol, XLogP of 4.11, 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-pyrazin-2-ylsulfanylbenzamide is sourced from PubChem (CID 135347980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).