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

C20H19ClF2N6O2 — CID 11123202

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1
InChIInChI=1S/C20H19ClF2N6O2/c1-13-5-7-24-14(8-13)9-26-17(30)11-29-16(21)10-27-18(19(29)31)28-12-20(22,23)15-4-2-3-6-25-15/h2-8,10H,9,11-12H2,1H3,(H,26,30)(H,27,28)
InChIKeyZPULVJAGGJKMCK-UHFFFAOYSA-N
MW448.86 g/mol
LogP2.52
Rot. Bonds8

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

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 11123202) has the molecular formula C20H19ClF2N6O2 and a molecular weight of 448.86 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
PubChem CID11123202
Molecular FormulaC20H19ClF2N6O2
Molecular Weight448.86 g/mol
Exact Mass448.12
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1
InChIInChI=1S/C20H19ClF2N6O2/c1-13-5-7-24-14(8-13)9-26-17(30)11-29-16(21)10-27-18(19(29)31)28-12-20(22,23)15-4-2-3-6-25-15/h2-8,10H,9,11-12H2,1H3,(H,26,30)(H,27,28)
InChIKeyZPULVJAGGJKMCK-UHFFFAOYSA-N
XLogP2.52
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.86
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide (CID 11123202) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide is Cc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is ZPULVJAGGJKMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N6O2/c1-13-5-7-24-14(8-13)9-26-17(30)11-29-16(21)10-27-18(19(29)31)28-12-20(22,23)15-4-2-3-6-25-15/h2-8,10H,9,11-12H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 448.86 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 11123202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).