3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide

C16H12N4OS — CID 154800744

IUPAC3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccncc1)c1nccnc1Sc1ccccc1
InChIInChI=1S/C16H12N4OS/c21-15(20-12-6-8-17-9-7-12)14-16(19-11-10-18-14)22-13-4-2-1-3-5-13/h1-11H,(H,17,20,21)
InChIKeyJSFOCTPPNZWGSN-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.28
Rot. Bonds4

About 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide

3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide (PubChem CID 154800744) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide
PubChem CID154800744
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccncc1)c1nccnc1Sc1ccccc1
InChIInChI=1S/C16H12N4OS/c21-15(20-12-6-8-17-9-7-12)14-16(19-11-10-18-14)22-13-4-2-1-3-5-13/h1-11H,(H,17,20,21)
InChIKeyJSFOCTPPNZWGSN-UHFFFAOYSA-N
XLogP3.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylsulfanylpyrazine-2-carboxylic acid
CID 12556842
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
2,3-bis(phenylsulfanyl)pyrazine
CID 86197506
3-(pyridin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 17296224
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
N'-hydroxy-3-phenylsulfanylpyrazine-2-carboximidamide
CID 172625571
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid
CID 62701775
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 17422807

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide (CID 154800744) is 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide is O=C(Nc1ccncc1)c1nccnc1Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide?
The InChIKey is JSFOCTPPNZWGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-15(20-12-6-8-17-9-7-12)14-16(19-11-10-18-14)22-13-4-2-1-3-5-13/h1-11H,(H,17,20,21).
What are the key properties of 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide?
3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154800744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).