2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C20H21F3N6O3 — CID 164519539

IUPAC2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1cc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C20H21F3N6O3/c1-27(2)14-9-13(16-17(26-14)28(3)19(32)29(4)18(16)31)24-10-15(30)25-12-7-5-11(6-8-12)20(21,22)23/h5-9H,10H2,1-4H3,(H,24,26)(H,25,30)
InChIKeyBQWMSPHEMUKACA-UHFFFAOYSA-N
MW450.42 g/mol
LogP1.77
Rot. Bonds5

About 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 164519539) has the molecular formula C20H21F3N6O3 and a molecular weight of 450.42 g/mol. Its IUPAC name is 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID164519539
Molecular FormulaC20H21F3N6O3
Molecular Weight450.42 g/mol
Exact Mass450.16
IUPAC Name2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1cc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C20H21F3N6O3/c1-27(2)14-9-13(16-17(26-14)28(3)19(32)29(4)18(16)31)24-10-15(30)25-12-7-5-11(6-8-12)20(21,22)23/h5-9H,10H2,1-4H3,(H,24,26)(H,25,30)
InChIKeyBQWMSPHEMUKACA-UHFFFAOYSA-N
XLogP1.77
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 164519539) is 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is CN(C)c1cc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BQWMSPHEMUKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O3/c1-27(2)14-9-13(16-17(26-14)28(3)19(32)29(4)18(16)31)24-10-15(30)25-12-7-5-11(6-8-12)20(21,22)23/h5-9H,10H2,1-4H3,(H,24,26)(H,25,30).
What are the key properties of 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 450.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(dimethylamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 164519539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).