2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide

C22H23F2N5O2 — CID 10895218

IUPAC2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1
InChIInChI=1S/C22H23F2N5O2/c1-15-8-9-25-18(10-15)12-26-19(30)13-29-16(2)11-27-20(21(29)31)28-14-22(23,24)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyLBLGAOMZMYPAKE-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.78
Rot. Bonds8

About 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide

2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 10895218) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
PubChem CID10895218
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1
InChIInChI=1S/C22H23F2N5O2/c1-15-8-9-25-18(10-15)12-26-19(30)13-29-16(2)11-27-20(21(29)31)28-14-22(23,24)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyLBLGAOMZMYPAKE-UHFFFAOYSA-N
XLogP2.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide (CID 10895218) is 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide is Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1.
What is the InChIKey of 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is LBLGAOMZMYPAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-15-8-9-25-18(10-15)12-26-19(30)13-29-16(2)11-27-20(21(29)31)28-14-22(23,24)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 427.46 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 10895218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).