N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide

C16H10ClF3N4O2 — CID 46383128

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2cccnc21)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4O2/c17-9-3-4-11(10(6-9)16(18,19)20)23-13(25)8-24-14(26)7-22-12-2-1-5-21-15(12)24/h1-7H,8H2,(H,23,25)
InChIKeyLAQURUHUHKBGPP-UHFFFAOYSA-N
MW382.73 g/mol
LogP3.10
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide (PubChem CID 46383128) has the molecular formula C16H10ClF3N4O2 and a molecular weight of 382.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide
PubChem CID46383128
Molecular FormulaC16H10ClF3N4O2
Molecular Weight382.73 g/mol
Exact Mass382.04
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2cccnc21)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4O2/c17-9-3-4-11(10(6-9)16(18,19)20)23-13(25)8-24-14(26)7-22-12-2-1-5-21-15(12)24/h1-7H,8H2,(H,23,25)
InChIKeyLAQURUHUHKBGPP-UHFFFAOYSA-N
XLogP3.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide (CID 46383128) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide is O=C(Cn1c(=O)cnc2cccnc21)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide?
The InChIKey is LAQURUHUHKBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2/c17-9-3-4-11(10(6-9)16(18,19)20)23-13(25)8-24-14(26)7-22-12-2-1-5-21-15(12)24/h1-7H,8H2,(H,23,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide has a molecular weight of 382.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxopyrido[2,3-b]pyrazin-4-yl)acetamide is sourced from PubChem (CID 46383128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).