N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide

C22H21F2N5OS — CID 45275151

IUPACN-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCCc1cnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4F)cn3)C2)s1
InChIInChI=1S/C22H21F2N5OS/c1-3-14-9-27-22(31-14)29-8-7-13(2)15(12-29)18-10-26-19(11-25-18)28-21(30)20-16(23)5-4-6-17(20)24/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,28,30)
InChIKeyVOYUFMOQANJMLQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.71
Rot. Bonds5

About N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 45275151) has the molecular formula C22H21F2N5OS and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID45275151
Molecular FormulaC22H21F2N5OS
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCCc1cnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4F)cn3)C2)s1
InChIInChI=1S/C22H21F2N5OS/c1-3-14-9-27-22(31-14)29-8-7-13(2)15(12-29)18-10-26-19(11-25-18)28-21(30)20-16(23)5-4-6-17(20)24/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,28,30)
InChIKeyVOYUFMOQANJMLQ-UHFFFAOYSA-N
XLogP4.71
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide with MolForge

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Related Compounds

2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
CID 69280980
3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
CID 69280960
N-[5-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
CID 158461826
2-chloro-N-[5-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-6-fluorobenzamide;1,3-thiazole
CID 160876937
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804
2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 59785762
N-(2,6-difluorophenyl)-5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazine-2-carboxamide
CID 69281087
2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
CID 25177442
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
ethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11625878
N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
CID 66744848
2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
CID 118009556

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 45275151) is N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide is CCc1cnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4F)cn3)C2)s1.
What is the InChIKey of N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is VOYUFMOQANJMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5OS/c1-3-14-9-27-22(31-14)29-8-7-13(2)15(12-29)18-10-26-19(11-25-18)28-21(30)20-16(23)5-4-6-17(20)24/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,28,30).
What are the key properties of N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 441.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 45275151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).