2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide

C11H8F3N3O2 — CID 18566116

IUPAC2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c1-6-8(16-10(19)11(12,13)14)9(18)17-5-3-2-4-7(17)15-6/h2-5H,1H3,(H,16,19)
InChIKeyAANOJKXGEKDWQD-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.50
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (PubChem CID 18566116) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
PubChem CID18566116
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C11H8F3N3O2/c1-6-8(16-10(19)11(12,13)14)9(18)17-5-3-2-4-7(17)15-6/h2-5H,1H3,(H,16,19)
InChIKeyAANOJKXGEKDWQD-UHFFFAOYSA-N
XLogP1.50
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 47003241
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
CID 18566185
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71449589
3-Amino-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3514055
3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1359737
Cambridge id 5974420
CID 2879264
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)isobutyramide
CID 18566117
2-(Trifluoromethyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 69324468
2-[(2,2-Difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115406622
7-Amino-2-(difluoromethyl)-9-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958344
N-[3-iodo-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-8-yl]acetamide
CID 156409383
8-Fluoro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409482

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (CID 18566116) is 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is Cc1nc2ccccn2c(=O)c1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is AANOJKXGEKDWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6-8(16-10(19)11(12,13)14)9(18)17-5-3-2-4-7(17)15-6/h2-5H,1H3,(H,16,19).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 271.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18566116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).