3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

C23H25F3N4O4 — CID 20864082

IUPAC3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCOc1cccc(C(F)(F)F)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H25F3N4O4/c1-13-17(14(2)28-20-19(13)21(32)30(4)22(33)29(20)3)8-9-18(31)27-10-11-34-16-7-5-6-15(12-16)23(24,25)26/h5-7,12H,8-11H2,1-4H3,(H,27,31)
InChIKeyICZMFBFSWIYCDG-UHFFFAOYSA-N
MW478.47 g/mol
LogP2.40
Rot. Bonds7

About 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide (PubChem CID 20864082) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
PubChem CID20864082
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCOc1cccc(C(F)(F)F)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H25F3N4O4/c1-13-17(14(2)28-20-19(13)21(32)30(4)22(33)29(20)3)8-9-18(31)27-10-11-34-16-7-5-6-15(12-16)23(24,25)26/h5-7,12H,8-11H2,1-4H3,(H,27,31)
InChIKeyICZMFBFSWIYCDG-UHFFFAOYSA-N
XLogP2.40
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The IUPAC name of 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide (CID 20864082) is 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide.
What is the SMILES notation for 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The canonical SMILES for 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide is Cc1nc2c(c(C)c1CCC(=O)NCCOc1cccc(C(F)(F)F)c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The InChIKey is ICZMFBFSWIYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-13-17(14(2)28-20-19(13)21(32)30(4)22(33)29(20)3)8-9-18(31)27-10-11-34-16-7-5-6-15(12-16)23(24,25)26/h5-7,12H,8-11H2,1-4H3,(H,27,31).
What are the key properties of 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide has a molecular weight of 478.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide is sourced from PubChem (CID 20864082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).