3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide

C20H13F2N5OS — CID 11538771

IUPAC3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2cncs2)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1
InChIInChI=1S/C20H13F2N5OS/c1-11-2-3-12(17-8-24-10-29-17)4-13(11)16-7-26-18(9-25-16)27-20(28)19-14(21)5-23-6-15(19)22/h2-10H,1H3,(H,26,27,28)
InChIKeyZSXSBWDCOYVCGQ-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.50
Rot. Bonds4

About 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide

3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 11538771) has the molecular formula C20H13F2N5OS and a molecular weight of 409.42 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID11538771
Molecular FormulaC20H13F2N5OS
Molecular Weight409.42 g/mol
Exact Mass409.08
IUPAC Name3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2cncs2)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1
InChIInChI=1S/C20H13F2N5OS/c1-11-2-3-12(17-8-24-10-29-17)4-13(11)16-7-26-18(9-25-16)27-20(28)19-14(21)5-23-6-15(19)22/h2-10H,1H3,(H,26,27,28)
InChIKeyZSXSBWDCOYVCGQ-UHFFFAOYSA-N
XLogP4.50
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (CID 11538771) is 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2cncs2)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1.
What is the InChIKey of 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is ZSXSBWDCOYVCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5OS/c1-11-2-3-12(17-8-24-10-29-17)4-13(11)16-7-26-18(9-25-16)27-20(28)19-14(21)5-23-6-15(19)22/h2-10H,1H3,(H,26,27,28).
What are the key properties of 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 409.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11538771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).