2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H21F3N4O2 — CID 9030884

IUPAC2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C21H21F3N4O2/c1-3-27(12-15-10-20(30)28-11-14(2)8-9-18(28)25-15)13-19(29)26-17-7-5-4-6-16(17)21(22,23)24/h4-11H,3,12-13H2,1-2H3,(H,26,29)
InChIKeyXUHAPUHZLVATAN-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.48
Rot. Bonds6

About 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 9030884) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID9030884
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C21H21F3N4O2/c1-3-27(12-15-10-20(30)28-11-14(2)8-9-18(28)25-15)13-19(29)26-17-7-5-4-6-16(17)21(22,23)24/h4-11H,3,12-13H2,1-2H3,(H,26,29)
InChIKeyXUHAPUHZLVATAN-UHFFFAOYSA-N
XLogP3.48
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8001790
2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-ethylacetamide
CID 9433131
N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 18199923
2-[ethyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55411337
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 56812870
N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
CID 24681171
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8718373
2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26514549
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46801667
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 9030884) is 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XUHAPUHZLVATAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-3-27(12-15-10-20(30)28-11-14(2)8-9-18(28)25-15)13-19(29)26-17-7-5-4-6-16(17)21(22,23)24/h4-11H,3,12-13H2,1-2H3,(H,26,29).
What are the key properties of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 418.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9030884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).