2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide

C16H11ClF3N5O2 — CID 146709930

IUPAC2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CNc1nc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF3N5O2/c17-9-3-1-2-4-10(9)25-14-8(5-6-11(23-14)16(18,19)20)13(24-15(25)27)22-7-12(21)26/h1-6H,7H2,(H2,21,26)(H,22,24,27)
InChIKeyRBGXJHHCIYMDJE-UHFFFAOYSA-N
MW397.74 g/mol
LogP2.35
Rot. Bonds4

About 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide

2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 146709930) has the molecular formula C16H11ClF3N5O2 and a molecular weight of 397.74 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide
PubChem CID146709930
Molecular FormulaC16H11ClF3N5O2
Molecular Weight397.74 g/mol
Exact Mass397.06
IUPAC Name2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CNc1nc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF3N5O2/c17-9-3-1-2-4-10(9)25-14-8(5-6-11(23-14)16(18,19)20)13(24-15(25)27)22-7-12(21)26/h1-6H,7H2,(H2,21,26)(H,22,24,27)
InChIKeyRBGXJHHCIYMDJE-UHFFFAOYSA-N
XLogP2.35
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 146709930) is 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide is NC(=O)CNc1nc(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is RBGXJHHCIYMDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O2/c17-9-3-1-2-4-10(9)25-14-8(5-6-11(23-14)16(18,19)20)13(24-15(25)27)22-7-12(21)26/h1-6H,7H2,(H2,21,26)(H,22,24,27).
What are the key properties of 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide?
2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 397.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 146709930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).