5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide

C18H16N4OS — CID 24644970

IUPAC5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cn1
InChIInChI=1S/C18H16N4OS/c1-13-9-21-17(11-20-13)18(23)22-15-4-6-16(7-5-15)24-12-14-3-2-8-19-10-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyYEDPBNVSVGGICP-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.72
Rot. Bonds5

About 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide

5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24644970) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
PubChem CID24644970
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cn1
InChIInChI=1S/C18H16N4OS/c1-13-9-21-17(11-20-13)18(23)22-15-4-6-16(7-5-15)24-12-14-3-2-8-19-10-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyYEDPBNVSVGGICP-UHFFFAOYSA-N
XLogP3.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17423774
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 46669066
5,7-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39985596
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 46668908
2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 134041922
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide (CID 24644970) is 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cn1.
What is the InChIKey of 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is YEDPBNVSVGGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-13-9-21-17(11-20-13)18(23)22-15-4-6-16(7-5-15)24-12-14-3-2-8-19-10-14/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide?
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24644970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).