2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

C20H18N6O2S — CID 8893076

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)no1
InChIInChI=1S/C20H18N6O2S/c1-14-10-16(25-28-14)13-29-20-17(5-3-8-22-20)19(27)24-18-6-9-23-26(18)12-15-4-2-7-21-11-15/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyDPMZXRBZDCZNHL-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.56
Rot. Bonds7

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 8893076) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID8893076
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)no1
InChIInChI=1S/C20H18N6O2S/c1-14-10-16(25-28-14)13-29-20-17(5-3-8-22-20)19(27)24-18-6-9-23-26(18)12-15-4-2-7-21-11-15/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyDPMZXRBZDCZNHL-UHFFFAOYSA-N
XLogP3.56
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 8893076) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is DPMZXRBZDCZNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c1-14-10-16(25-28-14)13-29-20-17(5-3-8-22-20)19(27)24-18-6-9-23-26(18)12-15-4-2-7-21-11-15/h2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8893076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).