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

C21H19N5O2S — CID 8850895

IUPACN-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccccc2)no1
InChIInChI=1S/C21H19N5O2S/c1-15-12-17(25-28-15)14-29-21-18(8-5-10-22-21)20(27)24-19-9-11-23-26(19)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyFSGWUAFNXWATGX-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.17
Rot. Bonds7

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

N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 8850895) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID8850895
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccccc2)no1
InChIInChI=1S/C21H19N5O2S/c1-15-12-17(25-28-15)14-29-21-18(8-5-10-22-21)20(27)24-19-9-11-23-26(19)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,24,27)
InChIKeyFSGWUAFNXWATGX-UHFFFAOYSA-N
XLogP4.17
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 8850895) is N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccccc2)no1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is FSGWUAFNXWATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-15-12-17(25-28-15)14-29-21-18(8-5-10-22-21)20(27)24-19-9-11-23-26(19)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,24,27).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 8850895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).