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

C12H11F3N4O3 — CID 132971059

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
SMILESCn1c(=O)c2cc(NC(=O)CC(F)(F)F)cnc2n(C)c1=O
InChIInChI=1S/C12H11F3N4O3/c1-18-9-7(10(21)19(2)11(18)22)3-6(5-16-9)17-8(20)4-12(13,14)15/h3,5H,4H2,1-2H3,(H,17,20)
InChIKeyCRSHWOQXCRVBGA-UHFFFAOYSA-N
MW316.24 g/mol
LogP0.52
Rot. Bonds2

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

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide (PubChem CID 132971059) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
PubChem CID132971059
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
SMILESCn1c(=O)c2cc(NC(=O)CC(F)(F)F)cnc2n(C)c1=O
InChIInChI=1S/C12H11F3N4O3/c1-18-9-7(10(21)19(2)11(18)22)3-6(5-16-9)17-8(20)4-12(13,14)15/h3,5H,4H2,1-2H3,(H,17,20)
InChIKeyCRSHWOQXCRVBGA-UHFFFAOYSA-N
XLogP0.52
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55457131
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55456698
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-fluorophenyl)propanamide
CID 55457312
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
CID 134009089
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 134009111
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55607526
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
CID 119837912
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,5-difluorobenzamide
CID 134009067
(E)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 52550102
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55493641

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide (CID 132971059) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide is Cn1c(=O)c2cc(NC(=O)CC(F)(F)F)cnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide?
The InChIKey is CRSHWOQXCRVBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c1-18-9-7(10(21)19(2)11(18)22)3-6(5-16-9)17-8(20)4-12(13,14)15/h3,5H,4H2,1-2H3,(H,17,20).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide has a molecular weight of 316.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 132971059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).