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

C22H19N5OS — CID 70979582

IUPAC4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(-c3cnc(NC(=O)c4cnccc4C)cn3)c2)cs1
InChIInChI=1S/C22H19N5OS/c1-13-4-5-16(20-12-29-15(3)26-20)8-17(13)19-10-25-21(11-24-19)27-22(28)18-9-23-7-6-14(18)2/h4-12H,1-3H3,(H,25,27,28)
InChIKeyZTLUQAOTEKRUMU-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.84
Rot. Bonds4

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

4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 70979582) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID70979582
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(-c3cnc(NC(=O)c4cnccc4C)cn3)c2)cs1
InChIInChI=1S/C22H19N5OS/c1-13-4-5-16(20-12-29-15(3)26-20)8-17(13)19-10-25-21(11-24-19)27-22(28)18-9-23-7-6-14(18)2/h4-12H,1-3H3,(H,25,27,28)
InChIKeyZTLUQAOTEKRUMU-UHFFFAOYSA-N
XLogP4.84
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (CID 70979582) is 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is Cc1nc(-c2ccc(C)c(-c3cnc(NC(=O)c4cnccc4C)cn3)c2)cs1.
What is the InChIKey of 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is ZTLUQAOTEKRUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-13-4-5-16(20-12-29-15(3)26-20)8-17(13)19-10-25-21(11-24-19)27-22(28)18-9-23-7-6-14(18)2/h4-12H,1-3H3,(H,25,27,28).
What are the key properties of 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 401.50 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70979582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).