N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H13F3N6O3 — CID 55456698

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1c(=O)c2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)cnc2n(C)c1=O
InChIInChI=1S/C15H13F3N6O3/c1-22-12-9(13(26)23(2)14(22)27)5-8(6-19-12)20-11(25)7-24-4-3-10(21-24)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,25)
InChIKeyAADCVKAPEVWYII-UHFFFAOYSA-N
MW382.30 g/mol
LogP0.49
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55456698) has the molecular formula C15H13F3N6O3 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55456698
Molecular FormulaC15H13F3N6O3
Molecular Weight382.30 g/mol
Exact Mass382.10
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1c(=O)c2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)cnc2n(C)c1=O
InChIInChI=1S/C15H13F3N6O3/c1-22-12-9(13(26)23(2)14(22)27)5-8(6-19-12)20-11(25)7-24-4-3-10(21-24)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,25)
InChIKeyAADCVKAPEVWYII-UHFFFAOYSA-N
XLogP0.49
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55456698) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cn1c(=O)c2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)cnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AADCVKAPEVWYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O3/c1-22-12-9(13(26)23(2)14(22)27)5-8(6-19-12)20-11(25)7-24-4-3-10(21-24)15(16,17)18/h3-6H,7H2,1-2H3,(H,20,25).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 382.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55456698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).