2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C20H20F2N6O2 — CID 11811735

IUPAC2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccccn1
InChIInChI=1S/C20H20F2N6O2/c1-14-10-26-18(27-13-20(21,22)16-7-3-5-9-24-16)19(30)28(14)12-17(29)25-11-15-6-2-4-8-23-15/h2-10H,11-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyJWWNVSKOMHOUCH-UHFFFAOYSA-N
MW414.42 g/mol
LogP1.86
Rot. Bonds8

About 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 11811735) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID11811735
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC Name2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccccn1
InChIInChI=1S/C20H20F2N6O2/c1-14-10-26-18(27-13-20(21,22)16-7-3-5-9-24-16)19(30)28(14)12-17(29)25-11-15-6-2-4-8-23-15/h2-10H,11-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyJWWNVSKOMHOUCH-UHFFFAOYSA-N
XLogP1.86
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 11811735) is 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccccn1.
What is the InChIKey of 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JWWNVSKOMHOUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-14-10-26-18(27-13-20(21,22)16-7-3-5-9-24-16)19(30)28(14)12-17(29)25-11-15-6-2-4-8-23-15/h2-10H,11-13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 414.42 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 11811735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).