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

C20H18ClF2N5O2 — CID 11316448

IUPACN-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1
InChIInChI=1S/C20H18ClF2N5O2/c21-16-11-26-18(27-13-20(22,23)15-8-4-5-9-24-15)19(30)28(16)12-17(29)25-10-14-6-2-1-3-7-14/h1-9,11H,10,12-13H2,(H,25,29)(H,26,27)
InChIKeyGKIQZNZPTBCQET-UHFFFAOYSA-N
MW433.85 g/mol
LogP2.81
Rot. Bonds8

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

N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide (PubChem CID 11316448) has the molecular formula C20H18ClF2N5O2 and a molecular weight of 433.85 g/mol. Its IUPAC name is N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
PubChem CID11316448
Molecular FormulaC20H18ClF2N5O2
Molecular Weight433.85 g/mol
Exact Mass433.11
IUPAC NameN-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1
InChIInChI=1S/C20H18ClF2N5O2/c21-16-11-26-18(27-13-20(22,23)15-8-4-5-9-24-15)19(30)28(16)12-17(29)25-10-14-6-2-1-3-7-14/h1-9,11H,10,12-13H2,(H,25,29)(H,26,27)
InChIKeyGKIQZNZPTBCQET-UHFFFAOYSA-N
XLogP2.81
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide (CID 11316448) is N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide is O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide?
The InChIKey is GKIQZNZPTBCQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N5O2/c21-16-11-26-18(27-13-20(22,23)15-8-4-5-9-24-15)19(30)28(16)12-17(29)25-10-14-6-2-1-3-7-14/h1-9,11H,10,12-13H2,(H,25,29)(H,26,27).
What are the key properties of N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide?
N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide has a molecular weight of 433.85 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 11316448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).