N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide

C22H22FN3O2 — CID 123950510

IUPACN-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide
SMILESCCc1cc(OC)c(-c2cnc(NC(=O)c3ccccc3F)cn2)cc1CC
InChIInChI=1S/C22H22FN3O2/c1-4-14-10-17(20(28-3)11-15(14)5-2)19-12-25-21(13-24-19)26-22(27)16-8-6-7-9-18(16)23/h6-13H,4-5H2,1-3H3,(H,25,26,27)
InChIKeyCGSXXVSBCJYCMS-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.67
Rot. Bonds6

About N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide

N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide (PubChem CID 123950510) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide
PubChem CID123950510
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide
SMILESCCc1cc(OC)c(-c2cnc(NC(=O)c3ccccc3F)cn2)cc1CC
InChIInChI=1S/C22H22FN3O2/c1-4-14-10-17(20(28-3)11-15(14)5-2)19-12-25-21(13-24-19)26-22(27)16-8-6-7-9-18(16)23/h6-13H,4-5H2,1-3H3,(H,25,26,27)
InChIKeyCGSXXVSBCJYCMS-UHFFFAOYSA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sonidegib
CID 24775005
(3S,6S)-12-methoxy-6-(6-oxooctyl)-5,8,18,27,34-pentazahexacyclo[25.2.2.17,10.111,15.114,18.01,3]tetratriaconta-7,9,11,13,15(33),16-hexaene-4,32-dione
CID 155140512
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-[6-(cyclopropanecarbonylamino)pyridin-3-yl]-3-methoxybenzamide
CID 1452890
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
(3-Methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9325257
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
Sonidegib;LDE225; NVP-LDE 225
CID 53396339
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 57330381
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-(3-ethylamino-2-pyridinyl)piperazine
CID 455375

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide (CID 123950510) is N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide is CCc1cc(OC)c(-c2cnc(NC(=O)c3ccccc3F)cn2)cc1CC.
What is the InChIKey of N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide?
The InChIKey is CGSXXVSBCJYCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-4-14-10-17(20(28-3)11-15(14)5-2)19-12-25-21(13-24-19)26-22(27)16-8-6-7-9-18(16)23/h6-13H,4-5H2,1-3H3,(H,25,26,27).
What are the key properties of N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide?
N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide has a molecular weight of 379.44 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,5-diethyl-2-methoxyphenyl)pyrazin-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 123950510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).