2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C20H19F3N4O4 — CID 55970852

IUPAC2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCOc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C20H19F3N4O4/c1-2-8-27-16-15(18(29)26-19(27)30)10-12(11-25-16)17(28)24-7-9-31-14-5-3-13(4-6-14)20(21,22)23/h3-6,10-11H,2,7-9H2,1H3,(H,24,28)(H,26,29,30)
InChIKeyURMXCLMAWVZYMG-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.32
Rot. Bonds7

About 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide

2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55970852) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55970852
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCOc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C20H19F3N4O4/c1-2-8-27-16-15(18(29)26-19(27)30)10-12(11-25-16)17(28)24-7-9-31-14-5-3-13(4-6-14)20(21,22)23/h3-6,10-11H,2,7-9H2,1H3,(H,24,28)(H,26,29,30)
InChIKeyURMXCLMAWVZYMG-UHFFFAOYSA-N
XLogP2.32
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55970852) is 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCOc3ccc(C(F)(F)F)cc3)cnc21.
What is the InChIKey of 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is URMXCLMAWVZYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c1-2-8-27-16-15(18(29)26-19(27)30)10-12(11-25-16)17(28)24-7-9-31-14-5-3-13(4-6-14)20(21,22)23/h3-6,10-11H,2,7-9H2,1H3,(H,24,28)(H,26,29,30).
What are the key properties of 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55970852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).